USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1131 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 GLN :FLIP amide:sc= -0.683 F(o=-3.9,f=-1.5) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.802 K(o=-1.5,f=-3.7!) USER MOD Set 2.1: A 91 SER OG : rot 66:sc= 0.496 USER MOD Set 2.2: A 95 GLN : amide:sc= 0.456 K(o=0.95,f=-0.26) USER MOD Set 3.1: A 18 SER OG : rot -81:sc= 0.158 USER MOD Set 3.2: A 40 TYR OH : rot 152:sc= 0.219 USER MOD Set 3.3: A 71 THR OG1 : rot 13:sc= -2.1! USER MOD Set 3.4: A 74 ASN : amide:sc= 0.13 K(o=-1.6,f=-4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.0809 (180deg=-0.0891) USER MOD Single : A 2 THR OG1 : rot -71:sc= 0.399 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 19 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 20 SER OG : rot 76:sc= 0.701 USER MOD Single : A 26 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.53) USER MOD Single : A 35 GLN : amide:sc=-3.78e-05 X(o=-3.8e-05,f=-3.8e-05) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0298 F(o=-2,f=-0.03) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 43 SER OG : rot -4:sc= 0.745 USER MOD Single : A 46 THR OG1 : rot 30:sc= -0.176 USER MOD Single : A 48 MET CE :methyl -114:sc= -0.856 (180deg=-1.02) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc=-0.00905 (180deg=-0.109) USER MOD Single : A 51 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.9!) USER MOD Single : A 52 THR OG1 : rot -75:sc= 0.935 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0691 F(o=-1,f=-0.069) USER MOD Single : A 63 MET CE :methyl -178:sc= -0.831 (180deg=-0.866) 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 70 GLN : amide:sc= -0.188 K(o=-0.19,f=-3.3!) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0.105 (180deg=-0.0226) USER MOD Single : A 84 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 90 SER OG : rot 73:sc= 0.883 USER MOD Single : A 102 SER OG : rot -130:sc= 0.08 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A1001 MET CE :methyl 176:sc= -1.89 (180deg=-2.13) USER MOD Single : A1002 THR OG1 : rot 4:sc= -0.0601 USER MOD Single : A1003 THR OG1 : rot -76:sc= 1.09 USER MOD Single : A1006 THR OG1 : rot -77:sc= 0.818 USER MOD Single : A1010 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A1014 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 MET CE :methyl -167:sc= -3.45! (180deg=-4.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.446 -5.480 25.144 1.00 71.22 N ATOM 2 CA MET A 1 4.989 -6.255 23.964 1.00 72.02 C ATOM 3 C MET A 1 4.135 -5.378 23.019 1.00 10.13 C ATOM 4 O MET A 1 3.922 -5.749 21.866 1.00 22.52 O ATOM 5 CB MET A 1 4.194 -7.514 24.433 1.00 1.11 C ATOM 6 CG MET A 1 3.742 -8.459 23.308 1.00 41.43 C ATOM 7 SD MET A 1 2.762 -9.855 23.896 1.00 11.23 S ATOM 8 CE MET A 1 2.392 -10.698 22.354 1.00 43.24 C ATOM 0 H1 MET A 1 6.059 -6.077 25.736 1.00 71.22 H new ATOM 0 H2 MET A 1 5.979 -4.645 24.826 1.00 71.22 H new ATOM 0 H3 MET A 1 4.621 -5.174 25.699 1.00 71.22 H new ATOM 0 HA MET A 1 5.863 -6.583 23.402 1.00 72.02 H new ATOM 0 HB2 MET A 1 4.814 -8.076 25.131 1.00 1.11 H new ATOM 0 HB3 MET A 1 3.313 -7.184 24.984 1.00 1.11 H new ATOM 0 HG2 MET A 1 3.157 -7.894 22.582 1.00 41.43 H new ATOM 0 HG3 MET A 1 4.621 -8.836 22.785 1.00 41.43 H new ATOM 0 HE1 MET A 1 1.790 -11.583 22.559 1.00 43.24 H new ATOM 0 HE2 MET A 1 1.839 -10.027 21.696 1.00 43.24 H new ATOM 0 HE3 MET A 1 3.322 -10.996 21.870 1.00 43.24 H new ATOM 20 N THR A 2 3.661 -4.203 23.500 1.00 1.13 N ATOM 21 CA THR A 2 2.746 -3.343 22.721 1.00 23.43 C ATOM 22 C THR A 2 3.377 -2.891 21.386 1.00 1.50 C ATOM 23 O THR A 2 2.688 -2.850 20.367 1.00 54.31 O ATOM 24 CB THR A 2 2.252 -2.099 23.537 1.00 0.40 C ATOM 25 OG1 THR A 2 1.227 -1.399 22.803 1.00 34.55 O ATOM 26 CG2 THR A 2 3.392 -1.126 23.885 1.00 13.12 C ATOM 0 H THR A 2 3.898 -3.833 24.420 1.00 1.13 H new ATOM 0 HA THR A 2 1.875 -3.959 22.497 1.00 23.43 H new ATOM 0 HB THR A 2 1.849 -2.478 24.476 1.00 0.40 H new ATOM 0 HG1 THR A 2 1.629 -0.944 22.033 1.00 34.55 H new ATOM 0 HG21 THR A 2 2.992 -0.284 24.450 1.00 13.12 H new ATOM 0 HG22 THR A 2 4.141 -1.643 24.485 1.00 13.12 H new ATOM 0 HG23 THR A 2 3.852 -0.761 22.967 1.00 13.12 H new ATOM 34 N SER A 3 4.700 -2.613 21.404 1.00 45.13 N ATOM 35 CA SER A 3 5.450 -2.214 20.205 1.00 33.14 C ATOM 36 C SER A 3 5.439 -3.341 19.164 1.00 5.12 C ATOM 37 O SER A 3 5.174 -3.099 17.986 1.00 34.33 O ATOM 38 CB SER A 3 6.897 -1.825 20.578 1.00 34.41 C ATOM 39 OG SER A 3 7.546 -2.880 21.268 1.00 2.01 O ATOM 0 H SER A 3 5.270 -2.660 22.249 1.00 45.13 H new ATOM 0 HA SER A 3 4.965 -1.342 19.767 1.00 33.14 H new ATOM 0 HB2 SER A 3 7.455 -1.579 19.675 1.00 34.41 H new ATOM 0 HB3 SER A 3 6.888 -0.930 21.201 1.00 34.41 H new ATOM 0 HG SER A 3 8.461 -2.610 21.492 1.00 2.01 H new ATOM 45 N THR A 4 5.699 -4.568 19.652 1.00 34.41 N ATOM 46 CA THR A 4 5.677 -5.800 18.861 1.00 42.53 C ATOM 47 C THR A 4 4.322 -5.989 18.144 1.00 1.24 C ATOM 48 O THR A 4 4.270 -6.128 16.915 1.00 45.13 O ATOM 49 CB THR A 4 5.954 -7.024 19.797 1.00 21.31 C ATOM 50 OG1 THR A 4 7.170 -6.808 20.532 1.00 2.01 O ATOM 51 CG2 THR A 4 6.042 -8.345 19.023 1.00 24.42 C ATOM 0 H THR A 4 5.935 -4.728 20.631 1.00 34.41 H new ATOM 0 HA THR A 4 6.453 -5.729 18.098 1.00 42.53 H new ATOM 0 HB THR A 4 5.111 -7.106 20.483 1.00 21.31 H new ATOM 0 HG1 THR A 4 7.339 -7.575 21.118 1.00 2.01 H new ATOM 0 HG21 THR A 4 6.235 -9.162 19.718 1.00 24.42 H new ATOM 0 HG22 THR A 4 5.101 -8.526 18.503 1.00 24.42 H new ATOM 0 HG23 THR A 4 6.852 -8.288 18.296 1.00 24.42 H new ATOM 59 N VAL A 5 3.238 -5.949 18.941 1.00 72.13 N ATOM 60 CA VAL A 5 1.872 -6.215 18.465 1.00 14.40 C ATOM 61 C VAL A 5 1.452 -5.186 17.406 1.00 3.45 C ATOM 62 O VAL A 5 1.096 -5.568 16.295 1.00 51.01 O ATOM 63 CB VAL A 5 0.832 -6.224 19.647 1.00 14.14 C ATOM 64 CG1 VAL A 5 -0.611 -6.470 19.135 1.00 33.24 C ATOM 65 CG2 VAL A 5 1.223 -7.278 20.707 1.00 44.14 C ATOM 0 H VAL A 5 3.288 -5.730 19.936 1.00 72.13 H new ATOM 0 HA VAL A 5 1.878 -7.207 18.014 1.00 14.40 H new ATOM 0 HB VAL A 5 0.852 -5.239 20.113 1.00 14.14 H new ATOM 0 HG11 VAL A 5 -1.301 -6.470 19.978 1.00 33.24 H new ATOM 0 HG12 VAL A 5 -0.889 -5.680 18.438 1.00 33.24 H new ATOM 0 HG13 VAL A 5 -0.658 -7.434 18.628 1.00 33.24 H new ATOM 0 HG21 VAL A 5 0.492 -7.269 21.516 1.00 44.14 H new ATOM 0 HG22 VAL A 5 1.243 -8.266 20.247 1.00 44.14 H new ATOM 0 HG23 VAL A 5 2.210 -7.043 21.107 1.00 44.14 H new ATOM 75 N GLU A 6 1.545 -3.887 17.757 1.00 32.33 N ATOM 76 CA GLU A 6 1.157 -2.781 16.856 1.00 72.24 C ATOM 77 C GLU A 6 1.923 -2.866 15.527 1.00 10.24 C ATOM 78 O GLU A 6 1.315 -2.949 14.463 1.00 2.13 O ATOM 79 CB GLU A 6 1.413 -1.406 17.532 1.00 62.52 C ATOM 80 CG GLU A 6 0.536 -1.135 18.768 1.00 61.32 C ATOM 81 CD GLU A 6 0.915 0.168 19.493 1.00 72.30 C ATOM 82 OE1 GLU A 6 0.281 1.214 19.251 1.00 54.30 O ATOM 83 OE2 GLU A 6 1.858 0.144 20.307 1.00 20.22 O ATOM 0 H GLU A 6 1.888 -3.576 18.666 1.00 32.33 H new ATOM 0 HA GLU A 6 0.091 -2.875 16.649 1.00 72.24 H new ATOM 0 HB2 GLU A 6 2.461 -1.348 17.825 1.00 62.52 H new ATOM 0 HB3 GLU A 6 1.242 -0.617 16.800 1.00 62.52 H new ATOM 0 HG2 GLU A 6 -0.509 -1.085 18.462 1.00 61.32 H new ATOM 0 HG3 GLU A 6 0.625 -1.971 19.462 1.00 61.32 H new ATOM 90 N PHE A 7 3.258 -2.942 15.631 1.00 33.45 N ATOM 91 CA PHE A 7 4.172 -2.880 14.474 1.00 2.23 C ATOM 92 C PHE A 7 3.897 -4.039 13.479 1.00 34.31 C ATOM 93 O PHE A 7 3.608 -3.797 12.294 1.00 42.21 O ATOM 94 CB PHE A 7 5.637 -2.910 14.990 1.00 33.11 C ATOM 95 CG PHE A 7 6.692 -2.427 14.005 1.00 41.32 C ATOM 96 CD1 PHE A 7 7.691 -3.276 13.534 1.00 24.33 C ATOM 97 CD2 PHE A 7 6.692 -1.099 13.572 1.00 73.20 C ATOM 98 CE1 PHE A 7 8.660 -2.813 12.666 1.00 44.24 C ATOM 99 CE2 PHE A 7 7.657 -0.638 12.703 1.00 51.15 C ATOM 100 CZ PHE A 7 8.642 -1.495 12.250 1.00 70.41 C ATOM 0 H PHE A 7 3.739 -3.049 16.524 1.00 33.45 H new ATOM 0 HA PHE A 7 4.004 -1.952 13.928 1.00 2.23 H new ATOM 0 HB2 PHE A 7 5.699 -2.298 15.890 1.00 33.11 H new ATOM 0 HB3 PHE A 7 5.879 -3.932 15.282 1.00 33.11 H new ATOM 0 HD1 PHE A 7 7.708 -4.308 13.851 1.00 24.33 H new ATOM 0 HD2 PHE A 7 5.925 -0.424 13.923 1.00 73.20 H new ATOM 0 HE1 PHE A 7 9.432 -3.481 12.312 1.00 44.24 H new ATOM 0 HE2 PHE A 7 7.644 0.391 12.376 1.00 51.15 H new ATOM 0 HZ PHE A 7 9.399 -1.134 11.570 1.00 70.41 H new ATOM 110 N ILE A 8 3.923 -5.288 14.004 1.00 12.21 N ATOM 111 CA ILE A 8 3.707 -6.515 13.201 1.00 23.20 C ATOM 112 C ILE A 8 2.294 -6.541 12.592 1.00 53.25 C ATOM 113 O ILE A 8 2.157 -6.811 11.410 1.00 14.24 O ATOM 114 CB ILE A 8 3.940 -7.827 14.052 1.00 53.11 C ATOM 115 CG1 ILE A 8 5.413 -7.894 14.562 1.00 4.41 C ATOM 116 CG2 ILE A 8 3.576 -9.115 13.256 1.00 11.12 C ATOM 117 CD1 ILE A 8 5.701 -9.046 15.505 1.00 2.53 C ATOM 0 H ILE A 8 4.094 -5.472 14.993 1.00 12.21 H new ATOM 0 HA ILE A 8 4.442 -6.493 12.396 1.00 23.20 H new ATOM 0 HB ILE A 8 3.271 -7.779 14.911 1.00 53.11 H new ATOM 0 HG12 ILE A 8 6.079 -7.970 13.702 1.00 4.41 H new ATOM 0 HG13 ILE A 8 5.652 -6.959 15.068 1.00 4.41 H new ATOM 0 HG21 ILE A 8 3.752 -9.991 13.881 1.00 11.12 H new ATOM 0 HG22 ILE A 8 2.525 -9.080 12.968 1.00 11.12 H new ATOM 0 HG23 ILE A 8 4.195 -9.177 12.361 1.00 11.12 H new ATOM 0 HD11 ILE A 8 6.747 -9.015 15.809 1.00 2.53 H new ATOM 0 HD12 ILE A 8 5.065 -8.963 16.386 1.00 2.53 H new ATOM 0 HD13 ILE A 8 5.498 -9.990 14.999 1.00 2.53 H new ATOM 129 N ASN A 9 1.263 -6.231 13.409 1.00 71.43 N ATOM 130 CA ASN A 9 -0.163 -6.311 12.979 1.00 13.01 C ATOM 131 C ASN A 9 -0.477 -5.302 11.864 1.00 0.11 C ATOM 132 O ASN A 9 -1.259 -5.610 10.958 1.00 3.32 O ATOM 133 CB ASN A 9 -1.136 -6.088 14.177 1.00 51.20 C ATOM 134 CG ASN A 9 -1.251 -7.283 15.142 1.00 14.42 C ATOM 135 OD1 ASN A 9 -0.167 -8.010 15.373 1.00 32.15 O flip ATOM 136 ND2 ASN A 9 -2.317 -7.527 15.711 1.00 72.44 N flip ATOM 0 H ASN A 9 1.386 -5.922 14.373 1.00 71.43 H new ATOM 0 HA ASN A 9 -0.314 -7.318 12.589 1.00 13.01 H new ATOM 0 HB2 ASN A 9 -0.805 -5.215 14.739 1.00 51.20 H new ATOM 0 HB3 ASN A 9 -2.127 -5.858 13.785 1.00 51.20 H new ATOM 0 HD21 ASN A 9 -3.140 -6.956 15.519 1.00 72.44 H new ATOM 0 HD22 ASN A 9 -2.376 -8.300 16.373 1.00 72.44 H new ATOM 143 N ARG A 10 0.137 -4.108 11.939 1.00 5.44 N ATOM 144 CA ARG A 10 -0.070 -3.048 10.936 1.00 32.34 C ATOM 145 C ARG A 10 0.649 -3.419 9.630 1.00 11.21 C ATOM 146 O ARG A 10 0.027 -3.393 8.578 1.00 75.20 O ATOM 147 CB ARG A 10 0.388 -1.665 11.474 1.00 24.43 C ATOM 148 CG ARG A 10 -0.404 -1.187 12.711 1.00 62.01 C ATOM 149 CD ARG A 10 0.207 0.054 13.402 1.00 43.31 C ATOM 150 NE ARG A 10 -0.334 0.209 14.764 1.00 23.52 N ATOM 151 CZ ARG A 10 -0.460 1.357 15.443 1.00 2.33 C ATOM 152 NH1 ARG A 10 -0.087 2.516 14.920 1.00 71.42 N ATOM 153 NH2 ARG A 10 -0.983 1.332 16.654 1.00 31.14 N ATOM 0 H ARG A 10 0.783 -3.852 12.686 1.00 5.44 H new ATOM 0 HA ARG A 10 -1.137 -2.965 10.727 1.00 32.34 H new ATOM 0 HB2 ARG A 10 1.447 -1.717 11.729 1.00 24.43 H new ATOM 0 HB3 ARG A 10 0.287 -0.925 10.680 1.00 24.43 H new ATOM 0 HG2 ARG A 10 -1.426 -0.957 12.410 1.00 62.01 H new ATOM 0 HG3 ARG A 10 -0.460 -2.002 13.432 1.00 62.01 H new ATOM 0 HD2 ARG A 10 1.292 -0.044 13.445 1.00 43.31 H new ATOM 0 HD3 ARG A 10 -0.009 0.947 12.815 1.00 43.31 H new ATOM 0 HE ARG A 10 -0.643 -0.641 15.236 1.00 23.52 H new ATOM 0 HH11 ARG A 10 0.307 2.548 13.980 1.00 71.42 H new ATOM 0 HH12 ARG A 10 -0.193 3.376 15.458 1.00 71.42 H new ATOM 0 HH21 ARG A 10 -1.285 0.447 17.061 1.00 31.14 H new ATOM 0 HH22 ARG A 10 -1.085 2.198 17.183 1.00 31.14 H new ATOM 167 N TRP A 11 1.941 -3.823 9.714 1.00 22.34 N ATOM 168 CA TRP A 11 2.715 -4.276 8.521 1.00 14.41 C ATOM 169 C TRP A 11 2.062 -5.493 7.839 1.00 24.25 C ATOM 170 O TRP A 11 2.008 -5.574 6.603 1.00 44.30 O ATOM 171 CB TRP A 11 4.191 -4.607 8.884 1.00 34.14 C ATOM 172 CG TRP A 11 5.068 -3.392 9.017 1.00 3.33 C ATOM 173 CD1 TRP A 11 5.685 -2.926 10.139 1.00 24.20 C ATOM 174 CD2 TRP A 11 5.410 -2.474 7.968 1.00 33.40 C ATOM 175 NE1 TRP A 11 6.389 -1.789 9.850 1.00 25.30 N ATOM 176 CE2 TRP A 11 6.235 -1.488 8.532 1.00 42.54 C ATOM 177 CE3 TRP A 11 5.096 -2.390 6.610 1.00 61.53 C ATOM 178 CZ2 TRP A 11 6.753 -0.431 7.793 1.00 51.11 C ATOM 179 CZ3 TRP A 11 5.608 -1.344 5.878 1.00 30.01 C ATOM 180 CH2 TRP A 11 6.429 -0.375 6.472 1.00 23.23 C ATOM 0 H TRP A 11 2.469 -3.846 10.586 1.00 22.34 H new ATOM 0 HA TRP A 11 2.707 -3.443 7.818 1.00 14.41 H new ATOM 0 HB2 TRP A 11 4.210 -5.162 9.822 1.00 34.14 H new ATOM 0 HB3 TRP A 11 4.606 -5.262 8.118 1.00 34.14 H new ATOM 0 HD1 TRP A 11 5.627 -3.387 11.114 1.00 24.20 H new ATOM 0 HE1 TRP A 11 6.942 -1.252 10.517 1.00 25.30 H new ATOM 0 HE3 TRP A 11 4.464 -3.131 6.144 1.00 61.53 H new ATOM 0 HZ2 TRP A 11 7.387 0.316 8.248 1.00 51.11 H new ATOM 0 HZ3 TRP A 11 5.373 -1.268 4.827 1.00 30.01 H new ATOM 0 HH2 TRP A 11 6.813 0.434 5.868 1.00 23.23 H new ATOM 191 N GLN A 12 1.573 -6.420 8.675 1.00 11.11 N ATOM 192 CA GLN A 12 0.846 -7.628 8.245 1.00 72.43 C ATOM 193 C GLN A 12 -0.404 -7.230 7.464 1.00 3.30 C ATOM 194 O GLN A 12 -0.634 -7.721 6.360 1.00 34.44 O ATOM 195 CB GLN A 12 0.462 -8.469 9.490 1.00 12.11 C ATOM 196 CG GLN A 12 -0.337 -9.752 9.202 1.00 2.21 C ATOM 197 CD GLN A 12 -0.710 -10.529 10.472 1.00 3.14 C ATOM 198 OE1 GLN A 12 0.019 -10.526 11.464 1.00 54.45 O ATOM 199 NE2 GLN A 12 -1.860 -11.183 10.456 1.00 65.31 N ATOM 0 H GLN A 12 1.672 -6.352 9.688 1.00 11.11 H new ATOM 0 HA GLN A 12 1.484 -8.227 7.596 1.00 72.43 H new ATOM 0 HB2 GLN A 12 1.376 -8.742 10.018 1.00 12.11 H new ATOM 0 HB3 GLN A 12 -0.121 -7.842 10.164 1.00 12.11 H new ATOM 0 HG2 GLN A 12 -1.248 -9.492 8.662 1.00 2.21 H new ATOM 0 HG3 GLN A 12 0.248 -10.398 8.547 1.00 2.21 H new ATOM 0 HE21 GLN A 12 -2.444 -11.168 9.620 1.00 65.31 H new ATOM 0 HE22 GLN A 12 -2.163 -11.702 11.280 1.00 65.31 H new ATOM 208 N ARG A 13 -1.162 -6.284 8.047 1.00 52.41 N ATOM 209 CA ARG A 13 -2.411 -5.767 7.474 1.00 4.41 C ATOM 210 C ARG A 13 -2.166 -5.166 6.077 1.00 34.32 C ATOM 211 O ARG A 13 -2.887 -5.472 5.136 1.00 3.04 O ATOM 212 CB ARG A 13 -3.027 -4.697 8.420 1.00 63.12 C ATOM 213 CG ARG A 13 -4.421 -4.187 7.997 1.00 41.22 C ATOM 214 CD ARG A 13 -5.467 -5.321 7.932 1.00 1.53 C ATOM 215 NE ARG A 13 -6.816 -4.830 7.610 1.00 24.33 N ATOM 216 CZ ARG A 13 -7.725 -4.433 8.510 1.00 21.32 C ATOM 217 NH1 ARG A 13 -7.457 -4.469 9.813 1.00 13.51 N ATOM 218 NH2 ARG A 13 -8.914 -4.036 8.097 1.00 3.54 N ATOM 0 H ARG A 13 -0.919 -5.854 8.939 1.00 52.41 H new ATOM 0 HA ARG A 13 -3.111 -6.596 7.369 1.00 4.41 H new ATOM 0 HB2 ARG A 13 -3.098 -5.117 9.423 1.00 63.12 H new ATOM 0 HB3 ARG A 13 -2.346 -3.848 8.477 1.00 63.12 H new ATOM 0 HG2 ARG A 13 -4.756 -3.427 8.703 1.00 41.22 H new ATOM 0 HG3 ARG A 13 -4.349 -3.707 7.021 1.00 41.22 H new ATOM 0 HD2 ARG A 13 -5.161 -6.050 7.181 1.00 1.53 H new ATOM 0 HD3 ARG A 13 -5.493 -5.841 8.889 1.00 1.53 H new ATOM 0 HE ARG A 13 -7.079 -4.789 6.625 1.00 24.33 H new ATOM 0 HH11 ARG A 13 -6.549 -4.802 10.138 1.00 13.51 H new ATOM 0 HH12 ARG A 13 -8.159 -4.163 10.487 1.00 13.51 H new ATOM 0 HH21 ARG A 13 -9.133 -4.034 7.101 1.00 3.54 H new ATOM 0 HH22 ARG A 13 -9.614 -3.732 8.774 1.00 3.54 H new ATOM 232 N ILE A 14 -1.098 -4.361 5.966 1.00 52.00 N ATOM 233 CA ILE A 14 -0.715 -3.667 4.720 1.00 30.24 C ATOM 234 C ILE A 14 -0.295 -4.686 3.642 1.00 24.13 C ATOM 235 O ILE A 14 -0.640 -4.525 2.478 1.00 64.31 O ATOM 236 CB ILE A 14 0.455 -2.651 4.997 1.00 74.22 C ATOM 237 CG1 ILE A 14 0.041 -1.630 6.083 1.00 53.55 C ATOM 238 CG2 ILE A 14 0.900 -1.897 3.725 1.00 61.45 C ATOM 239 CD1 ILE A 14 1.168 -0.750 6.551 1.00 62.34 C ATOM 0 H ILE A 14 -0.468 -4.170 6.745 1.00 52.00 H new ATOM 0 HA ILE A 14 -1.579 -3.112 4.354 1.00 30.24 H new ATOM 0 HB ILE A 14 1.303 -3.241 5.346 1.00 74.22 H new ATOM 0 HG12 ILE A 14 -0.759 -1.002 5.692 1.00 53.55 H new ATOM 0 HG13 ILE A 14 -0.366 -2.169 6.939 1.00 53.55 H new ATOM 0 HG21 ILE A 14 1.709 -1.210 3.974 1.00 61.45 H new ATOM 0 HG22 ILE A 14 1.248 -2.613 2.981 1.00 61.45 H new ATOM 0 HG23 ILE A 14 0.058 -1.335 3.322 1.00 61.45 H new ATOM 0 HD11 ILE A 14 0.800 -0.061 7.312 1.00 62.34 H new ATOM 0 HD12 ILE A 14 1.960 -1.368 6.974 1.00 62.34 H new ATOM 0 HD13 ILE A 14 1.561 -0.183 5.707 1.00 62.34 H new ATOM 251 N ALA A 15 0.422 -5.748 4.061 1.00 61.22 N ATOM 252 CA ALA A 15 0.892 -6.817 3.152 1.00 12.24 C ATOM 253 C ALA A 15 -0.285 -7.614 2.558 1.00 71.33 C ATOM 254 O ALA A 15 -0.315 -7.892 1.347 1.00 1.31 O ATOM 255 CB ALA A 15 1.850 -7.758 3.895 1.00 44.14 C ATOM 0 H ALA A 15 0.692 -5.890 5.034 1.00 61.22 H new ATOM 0 HA ALA A 15 1.422 -6.344 2.326 1.00 12.24 H new ATOM 0 HB1 ALA A 15 2.190 -8.541 3.217 1.00 44.14 H new ATOM 0 HB2 ALA A 15 2.709 -7.192 4.256 1.00 44.14 H new ATOM 0 HB3 ALA A 15 1.332 -8.210 4.741 1.00 44.14 H new ATOM 261 N LEU A 16 -1.253 -7.956 3.428 1.00 74.24 N ATOM 262 CA LEU A 16 -2.440 -8.748 3.050 1.00 62.21 C ATOM 263 C LEU A 16 -3.374 -7.921 2.148 1.00 42.41 C ATOM 264 O LEU A 16 -3.876 -8.425 1.129 1.00 65.30 O ATOM 265 CB LEU A 16 -3.197 -9.227 4.322 1.00 14.33 C ATOM 266 CG LEU A 16 -2.376 -10.091 5.338 1.00 70.31 C ATOM 267 CD1 LEU A 16 -3.228 -10.472 6.574 1.00 3.12 C ATOM 268 CD2 LEU A 16 -1.753 -11.335 4.659 1.00 51.22 C ATOM 0 H LEU A 16 -1.235 -7.692 4.413 1.00 74.24 H new ATOM 0 HA LEU A 16 -2.109 -9.624 2.492 1.00 62.21 H new ATOM 0 HB2 LEU A 16 -3.573 -8.349 4.847 1.00 14.33 H new ATOM 0 HB3 LEU A 16 -4.065 -9.805 4.005 1.00 14.33 H new ATOM 0 HG LEU A 16 -1.548 -9.478 5.694 1.00 70.31 H new ATOM 0 HD11 LEU A 16 -2.628 -11.071 7.259 1.00 3.12 H new ATOM 0 HD12 LEU A 16 -3.560 -9.566 7.080 1.00 3.12 H new ATOM 0 HD13 LEU A 16 -4.097 -11.048 6.254 1.00 3.12 H new ATOM 0 HD21 LEU A 16 -1.191 -11.909 5.396 1.00 51.22 H new ATOM 0 HD22 LEU A 16 -2.545 -11.957 4.242 1.00 51.22 H new ATOM 0 HD23 LEU A 16 -1.083 -11.016 3.860 1.00 51.22 H new ATOM 280 N LEU A 17 -3.574 -6.641 2.534 1.00 54.11 N ATOM 281 CA LEU A 17 -4.394 -5.682 1.772 1.00 51.14 C ATOM 282 C LEU A 17 -3.799 -5.469 0.377 1.00 53.22 C ATOM 283 O LEU A 17 -4.495 -5.653 -0.600 1.00 11.42 O ATOM 284 CB LEU A 17 -4.534 -4.319 2.521 1.00 75.34 C ATOM 285 CG LEU A 17 -5.483 -4.310 3.768 1.00 31.50 C ATOM 286 CD1 LEU A 17 -5.371 -2.977 4.544 1.00 55.43 C ATOM 287 CD2 LEU A 17 -6.946 -4.592 3.354 1.00 63.11 C ATOM 0 H LEU A 17 -3.170 -6.247 3.384 1.00 54.11 H new ATOM 0 HA LEU A 17 -5.394 -6.104 1.672 1.00 51.14 H new ATOM 0 HB2 LEU A 17 -3.542 -4.001 2.843 1.00 75.34 H new ATOM 0 HB3 LEU A 17 -4.893 -3.573 1.812 1.00 75.34 H new ATOM 0 HG LEU A 17 -5.164 -5.111 4.435 1.00 31.50 H new ATOM 0 HD11 LEU A 17 -6.040 -2.999 5.404 1.00 55.43 H new ATOM 0 HD12 LEU A 17 -4.345 -2.840 4.886 1.00 55.43 H new ATOM 0 HD13 LEU A 17 -5.648 -2.151 3.890 1.00 55.43 H new ATOM 0 HD21 LEU A 17 -7.583 -4.580 4.238 1.00 63.11 H new ATOM 0 HD22 LEU A 17 -7.281 -3.825 2.655 1.00 63.11 H new ATOM 0 HD23 LEU A 17 -7.007 -5.570 2.876 1.00 63.11 H new ATOM 299 N SER A 18 -2.491 -5.147 0.304 1.00 15.30 N ATOM 300 CA SER A 18 -1.795 -4.859 -0.973 1.00 25.42 C ATOM 301 C SER A 18 -1.774 -6.082 -1.899 1.00 64.44 C ATOM 302 O SER A 18 -1.836 -5.927 -3.115 1.00 62.41 O ATOM 303 CB SER A 18 -0.347 -4.404 -0.717 1.00 0.35 C ATOM 304 OG SER A 18 0.380 -5.392 -0.009 1.00 42.32 O ATOM 0 H SER A 18 -1.887 -5.079 1.123 1.00 15.30 H new ATOM 0 HA SER A 18 -2.352 -4.059 -1.460 1.00 25.42 H new ATOM 0 HB2 SER A 18 0.146 -4.196 -1.667 1.00 0.35 H new ATOM 0 HB3 SER A 18 -0.350 -3.473 -0.149 1.00 0.35 H new ATOM 0 HG SER A 18 0.171 -5.330 0.946 1.00 42.32 H new ATOM 310 N GLN A 19 -1.645 -7.288 -1.304 1.00 43.43 N ATOM 311 CA GLN A 19 -1.673 -8.567 -2.049 1.00 74.34 C ATOM 312 C GLN A 19 -3.036 -8.757 -2.728 1.00 22.41 C ATOM 313 O GLN A 19 -3.111 -8.981 -3.956 1.00 70.05 O ATOM 314 CB GLN A 19 -1.361 -9.739 -1.089 1.00 73.10 C ATOM 315 CG GLN A 19 -1.330 -11.130 -1.751 1.00 71.35 C ATOM 316 CD GLN A 19 -0.994 -12.276 -0.789 1.00 11.31 C ATOM 317 OE1 GLN A 19 -0.380 -13.264 -1.189 1.00 71.44 O ATOM 318 NE2 GLN A 19 -1.417 -12.178 0.473 1.00 71.15 N ATOM 0 H GLN A 19 -1.519 -7.403 -0.298 1.00 43.43 H new ATOM 0 HA GLN A 19 -0.910 -8.547 -2.827 1.00 74.34 H new ATOM 0 HB2 GLN A 19 -0.396 -9.556 -0.617 1.00 73.10 H new ATOM 0 HB3 GLN A 19 -2.107 -9.747 -0.295 1.00 73.10 H new ATOM 0 HG2 GLN A 19 -2.301 -11.325 -2.206 1.00 71.35 H new ATOM 0 HG3 GLN A 19 -0.596 -11.120 -2.557 1.00 71.35 H new ATOM 0 HE21 GLN A 19 -1.924 -11.347 0.778 1.00 71.15 H new ATOM 0 HE22 GLN A 19 -1.233 -12.934 1.133 1.00 71.15 H new ATOM 327 N SER A 20 -4.104 -8.619 -1.908 1.00 3.52 N ATOM 328 CA SER A 20 -5.493 -8.683 -2.379 1.00 65.54 C ATOM 329 C SER A 20 -5.718 -7.657 -3.502 1.00 10.42 C ATOM 330 O SER A 20 -6.063 -8.029 -4.616 1.00 75.44 O ATOM 331 CB SER A 20 -6.478 -8.420 -1.213 1.00 24.44 C ATOM 332 OG SER A 20 -6.305 -9.364 -0.166 1.00 61.15 O ATOM 0 H SER A 20 -4.019 -8.461 -0.904 1.00 3.52 H new ATOM 0 HA SER A 20 -5.679 -9.684 -2.769 1.00 65.54 H new ATOM 0 HB2 SER A 20 -6.325 -7.413 -0.826 1.00 24.44 H new ATOM 0 HB3 SER A 20 -7.502 -8.467 -1.582 1.00 24.44 H new ATOM 0 HG SER A 20 -5.499 -9.142 0.345 1.00 61.15 H new ATOM 338 N LEU A 21 -5.398 -6.383 -3.188 1.00 32.14 N ATOM 339 CA LEU A 21 -5.583 -5.213 -4.070 1.00 24.13 C ATOM 340 C LEU A 21 -4.778 -5.351 -5.368 1.00 35.53 C ATOM 341 O LEU A 21 -5.221 -4.880 -6.419 1.00 51.35 O ATOM 342 CB LEU A 21 -5.192 -3.900 -3.320 1.00 2.14 C ATOM 343 CG LEU A 21 -6.113 -3.504 -2.116 1.00 54.43 C ATOM 344 CD1 LEU A 21 -5.491 -2.366 -1.276 1.00 33.04 C ATOM 345 CD2 LEU A 21 -7.531 -3.133 -2.596 1.00 10.30 C ATOM 0 H LEU A 21 -4.992 -6.134 -2.286 1.00 32.14 H new ATOM 0 HA LEU A 21 -6.638 -5.164 -4.341 1.00 24.13 H new ATOM 0 HB2 LEU A 21 -4.171 -4.003 -2.953 1.00 2.14 H new ATOM 0 HB3 LEU A 21 -5.191 -3.080 -4.038 1.00 2.14 H new ATOM 0 HG LEU A 21 -6.199 -4.377 -1.470 1.00 54.43 H new ATOM 0 HD11 LEU A 21 -6.157 -2.118 -0.450 1.00 33.04 H new ATOM 0 HD12 LEU A 21 -4.528 -2.690 -0.881 1.00 33.04 H new ATOM 0 HD13 LEU A 21 -5.348 -1.487 -1.904 1.00 33.04 H new ATOM 0 HD21 LEU A 21 -8.147 -2.863 -1.738 1.00 10.30 H new ATOM 0 HD22 LEU A 21 -7.473 -2.288 -3.282 1.00 10.30 H new ATOM 0 HD23 LEU A 21 -7.977 -3.986 -3.108 1.00 10.30 H new ATOM 357 N LEU A 22 -3.608 -6.010 -5.294 1.00 54.10 N ATOM 358 CA LEU A 22 -2.783 -6.271 -6.480 1.00 34.13 C ATOM 359 C LEU A 22 -3.537 -7.202 -7.425 1.00 73.15 C ATOM 360 O LEU A 22 -3.745 -6.863 -8.593 1.00 14.43 O ATOM 361 CB LEU A 22 -1.399 -6.879 -6.133 1.00 73.44 C ATOM 362 CG LEU A 22 -0.544 -7.301 -7.374 1.00 32.20 C ATOM 363 CD1 LEU A 22 -0.354 -6.124 -8.352 1.00 34.14 C ATOM 364 CD2 LEU A 22 0.806 -7.913 -6.959 1.00 3.20 C ATOM 0 H LEU A 22 -3.215 -6.370 -4.424 1.00 54.10 H new ATOM 0 HA LEU A 22 -2.592 -5.311 -6.960 1.00 34.13 H new ATOM 0 HB2 LEU A 22 -0.834 -6.153 -5.549 1.00 73.44 H new ATOM 0 HB3 LEU A 22 -1.549 -7.752 -5.498 1.00 73.44 H new ATOM 0 HG LEU A 22 -1.100 -8.079 -7.898 1.00 32.20 H new ATOM 0 HD11 LEU A 22 0.244 -6.451 -9.203 1.00 34.14 H new ATOM 0 HD12 LEU A 22 -1.328 -5.782 -8.703 1.00 34.14 H new ATOM 0 HD13 LEU A 22 0.156 -5.306 -7.843 1.00 34.14 H new ATOM 0 HD21 LEU A 22 1.368 -8.192 -7.850 1.00 3.20 H new ATOM 0 HD22 LEU A 22 1.376 -7.182 -6.385 1.00 3.20 H new ATOM 0 HD23 LEU A 22 0.632 -8.799 -6.348 1.00 3.20 H new ATOM 376 N GLU A 23 -3.974 -8.354 -6.880 1.00 13.13 N ATOM 377 CA GLU A 23 -4.757 -9.346 -7.635 1.00 32.24 C ATOM 378 C GLU A 23 -6.040 -8.717 -8.208 1.00 33.14 C ATOM 379 O GLU A 23 -6.416 -9.005 -9.339 1.00 1.31 O ATOM 380 CB GLU A 23 -5.089 -10.554 -6.730 1.00 12.22 C ATOM 381 CG GLU A 23 -3.837 -11.296 -6.226 1.00 41.34 C ATOM 382 CD GLU A 23 -4.133 -12.362 -5.164 1.00 24.11 C ATOM 383 OE1 GLU A 23 -4.423 -13.523 -5.531 1.00 20.01 O ATOM 384 OE2 GLU A 23 -4.082 -12.042 -3.960 1.00 53.25 O ATOM 0 H GLU A 23 -3.795 -8.620 -5.912 1.00 13.13 H new ATOM 0 HA GLU A 23 -4.159 -9.695 -8.477 1.00 32.24 H new ATOM 0 HB2 GLU A 23 -5.669 -10.210 -5.874 1.00 12.22 H new ATOM 0 HB3 GLU A 23 -5.719 -11.251 -7.282 1.00 12.22 H new ATOM 0 HG2 GLU A 23 -3.341 -11.769 -7.074 1.00 41.34 H new ATOM 0 HG3 GLU A 23 -3.138 -10.569 -5.813 1.00 41.34 H new ATOM 391 N LEU A 24 -6.651 -7.802 -7.432 1.00 13.32 N ATOM 392 CA LEU A 24 -7.879 -7.093 -7.828 1.00 50.12 C ATOM 393 C LEU A 24 -7.618 -6.189 -9.050 1.00 4.13 C ATOM 394 O LEU A 24 -8.374 -6.221 -10.005 1.00 22.12 O ATOM 395 CB LEU A 24 -8.439 -6.263 -6.636 1.00 33.23 C ATOM 396 CG LEU A 24 -8.875 -7.081 -5.378 1.00 14.31 C ATOM 397 CD1 LEU A 24 -9.280 -6.153 -4.223 1.00 74.04 C ATOM 398 CD2 LEU A 24 -9.987 -8.093 -5.705 1.00 12.43 C ATOM 0 H LEU A 24 -6.305 -7.534 -6.511 1.00 13.32 H new ATOM 0 HA LEU A 24 -8.627 -7.834 -8.110 1.00 50.12 H new ATOM 0 HB2 LEU A 24 -7.679 -5.543 -6.332 1.00 33.23 H new ATOM 0 HB3 LEU A 24 -9.297 -5.691 -6.989 1.00 33.23 H new ATOM 0 HG LEU A 24 -8.009 -7.657 -5.053 1.00 14.31 H new ATOM 0 HD11 LEU A 24 -9.578 -6.752 -3.362 1.00 74.04 H new ATOM 0 HD12 LEU A 24 -8.435 -5.521 -3.950 1.00 74.04 H new ATOM 0 HD13 LEU A 24 -10.115 -5.526 -4.536 1.00 74.04 H new ATOM 0 HD21 LEU A 24 -10.259 -8.639 -4.802 1.00 12.43 H new ATOM 0 HD22 LEU A 24 -10.860 -7.564 -6.086 1.00 12.43 H new ATOM 0 HD23 LEU A 24 -9.630 -8.794 -6.460 1.00 12.43 H new ATOM 410 N ALA A 25 -6.506 -5.434 -9.031 1.00 74.11 N ATOM 411 CA ALA A 25 -6.131 -4.526 -10.144 1.00 53.21 C ATOM 412 C ALA A 25 -5.757 -5.320 -11.408 1.00 4.25 C ATOM 413 O ALA A 25 -6.036 -4.890 -12.531 1.00 73.02 O ATOM 414 CB ALA A 25 -4.975 -3.608 -9.724 1.00 72.01 C ATOM 0 H ALA A 25 -5.844 -5.431 -8.255 1.00 74.11 H new ATOM 0 HA ALA A 25 -6.998 -3.909 -10.379 1.00 53.21 H new ATOM 0 HB1 ALA A 25 -4.714 -2.950 -10.552 1.00 72.01 H new ATOM 0 HB2 ALA A 25 -5.280 -3.008 -8.866 1.00 72.01 H new ATOM 0 HB3 ALA A 25 -4.109 -4.213 -9.455 1.00 72.01 H new ATOM 420 N GLN A 26 -5.133 -6.493 -11.193 1.00 2.31 N ATOM 421 CA GLN A 26 -4.791 -7.455 -12.261 1.00 71.30 C ATOM 422 C GLN A 26 -6.067 -8.129 -12.835 1.00 53.22 C ATOM 423 O GLN A 26 -6.079 -8.550 -13.991 1.00 54.42 O ATOM 424 CB GLN A 26 -3.819 -8.543 -11.706 1.00 72.05 C ATOM 425 CG GLN A 26 -2.430 -8.039 -11.223 1.00 71.51 C ATOM 426 CD GLN A 26 -1.516 -7.525 -12.346 1.00 45.12 C ATOM 427 OE1 GLN A 26 -1.609 -7.963 -13.493 1.00 43.15 O ATOM 428 NE2 GLN A 26 -0.595 -6.622 -12.021 1.00 63.23 N ATOM 0 H GLN A 26 -4.849 -6.804 -10.264 1.00 2.31 H new ATOM 0 HA GLN A 26 -4.301 -6.909 -13.067 1.00 71.30 H new ATOM 0 HB2 GLN A 26 -4.309 -9.048 -10.873 1.00 72.05 H new ATOM 0 HB3 GLN A 26 -3.661 -9.290 -12.484 1.00 72.05 H new ATOM 0 HG2 GLN A 26 -2.579 -7.239 -10.498 1.00 71.51 H new ATOM 0 HG3 GLN A 26 -1.923 -8.851 -10.702 1.00 71.51 H new ATOM 0 HE21 GLN A 26 -0.537 -6.274 -11.064 1.00 63.23 H new ATOM 0 HE22 GLN A 26 0.054 -6.278 -12.729 1.00 63.23 H new ATOM 437 N ARG A 27 -7.124 -8.243 -11.998 1.00 52.03 N ATOM 438 CA ARG A 27 -8.424 -8.871 -12.376 1.00 11.44 C ATOM 439 C ARG A 27 -9.529 -7.821 -12.631 1.00 51.20 C ATOM 440 O ARG A 27 -10.703 -8.185 -12.792 1.00 62.13 O ATOM 441 CB ARG A 27 -8.856 -9.866 -11.263 1.00 15.21 C ATOM 442 CG ARG A 27 -7.905 -11.077 -11.109 1.00 75.44 C ATOM 443 CD ARG A 27 -8.218 -11.937 -9.876 1.00 70.44 C ATOM 444 NE ARG A 27 -9.590 -12.483 -9.909 1.00 62.11 N ATOM 445 CZ ARG A 27 -9.921 -13.784 -9.865 1.00 12.44 C ATOM 446 NH1 ARG A 27 -8.985 -14.726 -9.780 1.00 24.31 N ATOM 447 NH2 ARG A 27 -11.199 -14.135 -9.893 1.00 50.23 N ATOM 0 H ARG A 27 -7.105 -7.903 -11.037 1.00 52.03 H new ATOM 0 HA ARG A 27 -8.282 -9.407 -13.314 1.00 11.44 H new ATOM 0 HB2 ARG A 27 -8.910 -9.334 -10.313 1.00 15.21 H new ATOM 0 HB3 ARG A 27 -9.860 -10.229 -11.482 1.00 15.21 H new ATOM 0 HG2 ARG A 27 -7.969 -11.697 -12.003 1.00 75.44 H new ATOM 0 HG3 ARG A 27 -6.878 -10.718 -11.043 1.00 75.44 H new ATOM 0 HD2 ARG A 27 -7.504 -12.758 -9.817 1.00 70.44 H new ATOM 0 HD3 ARG A 27 -8.089 -11.337 -8.975 1.00 70.44 H new ATOM 0 HE ARG A 27 -10.355 -11.811 -9.971 1.00 62.11 H new ATOM 0 HH11 ARG A 27 -8.000 -14.464 -9.747 1.00 24.31 H new ATOM 0 HH12 ARG A 27 -9.253 -15.710 -9.748 1.00 24.31 H new ATOM 0 HH21 ARG A 27 -11.923 -13.419 -9.948 1.00 50.23 H new ATOM 0 HH22 ARG A 27 -11.458 -15.121 -9.860 1.00 50.23 H new ATOM 461 N GLY A 28 -9.144 -6.526 -12.661 1.00 62.24 N ATOM 462 CA GLY A 28 -10.054 -5.431 -13.040 1.00 51.34 C ATOM 463 C GLY A 28 -11.155 -5.112 -12.020 1.00 24.15 C ATOM 464 O GLY A 28 -12.176 -4.520 -12.379 1.00 62.11 O ATOM 0 H GLY A 28 -8.201 -6.216 -12.425 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -9.463 -4.530 -13.206 1.00 51.34 H new ATOM 0 HA3 GLY A 28 -10.524 -5.683 -13.991 1.00 51.34 H new ATOM 468 N GLU A 29 -10.957 -5.524 -10.758 1.00 74.50 N ATOM 469 CA GLU A 29 -11.861 -5.202 -9.633 1.00 1.13 C ATOM 470 C GLU A 29 -11.550 -3.784 -9.094 1.00 54.13 C ATOM 471 O GLU A 29 -11.046 -3.626 -7.970 1.00 24.31 O ATOM 472 CB GLU A 29 -11.694 -6.254 -8.500 1.00 62.31 C ATOM 473 CG GLU A 29 -11.832 -7.730 -8.927 1.00 11.03 C ATOM 474 CD GLU A 29 -13.246 -8.098 -9.388 1.00 24.34 C ATOM 475 OE1 GLU A 29 -13.427 -8.511 -10.554 1.00 63.41 O ATOM 476 OE2 GLU A 29 -14.190 -7.978 -8.579 1.00 50.10 O ATOM 0 H GLU A 29 -10.158 -6.096 -10.483 1.00 74.50 H new ATOM 0 HA GLU A 29 -12.892 -5.226 -9.987 1.00 1.13 H new ATOM 0 HB2 GLU A 29 -10.713 -6.117 -8.045 1.00 62.31 H new ATOM 0 HB3 GLU A 29 -12.435 -6.048 -7.727 1.00 62.31 H new ATOM 0 HG2 GLU A 29 -11.129 -7.935 -9.735 1.00 11.03 H new ATOM 0 HG3 GLU A 29 -11.552 -8.371 -8.091 1.00 11.03 H new ATOM 483 N TRP A 30 -11.849 -2.757 -9.915 1.00 64.03 N ATOM 484 CA TRP A 30 -11.558 -1.339 -9.586 1.00 52.12 C ATOM 485 C TRP A 30 -12.445 -0.858 -8.420 1.00 12.24 C ATOM 486 O TRP A 30 -12.037 -0.005 -7.625 1.00 3.35 O ATOM 487 CB TRP A 30 -11.759 -0.415 -10.827 1.00 61.33 C ATOM 488 CG TRP A 30 -11.205 -0.981 -12.117 1.00 61.53 C ATOM 489 CD1 TRP A 30 -11.923 -1.417 -13.195 1.00 74.14 C ATOM 490 CD2 TRP A 30 -9.826 -1.193 -12.451 1.00 20.34 C ATOM 491 NE1 TRP A 30 -11.081 -1.895 -14.161 1.00 53.51 N ATOM 492 CE2 TRP A 30 -9.791 -1.767 -13.732 1.00 71.23 C ATOM 493 CE3 TRP A 30 -8.622 -0.956 -11.795 1.00 60.24 C ATOM 494 CZ2 TRP A 30 -8.602 -2.111 -14.362 1.00 4.53 C ATOM 495 CZ3 TRP A 30 -7.441 -1.295 -12.417 1.00 15.31 C ATOM 496 CH2 TRP A 30 -7.437 -1.869 -13.693 1.00 31.14 C ATOM 0 H TRP A 30 -12.297 -2.882 -10.823 1.00 64.03 H new ATOM 0 HA TRP A 30 -10.513 -1.280 -9.283 1.00 52.12 H new ATOM 0 HB2 TRP A 30 -12.824 -0.224 -10.955 1.00 61.33 H new ATOM 0 HB3 TRP A 30 -11.284 0.546 -10.631 1.00 61.33 H new ATOM 0 HD1 TRP A 30 -13.000 -1.388 -13.273 1.00 74.14 H new ATOM 0 HE1 TRP A 30 -11.370 -2.285 -15.058 1.00 53.51 H new ATOM 0 HE3 TRP A 30 -8.614 -0.512 -10.811 1.00 60.24 H new ATOM 0 HZ2 TRP A 30 -8.599 -2.554 -15.347 1.00 4.53 H new ATOM 0 HZ3 TRP A 30 -6.503 -1.115 -11.912 1.00 15.31 H new ATOM 0 HH2 TRP A 30 -6.496 -2.125 -14.157 1.00 31.14 H new ATOM 507 N ASP A 31 -13.652 -1.446 -8.335 1.00 72.25 N ATOM 508 CA ASP A 31 -14.623 -1.183 -7.262 1.00 40.31 C ATOM 509 C ASP A 31 -14.049 -1.609 -5.895 1.00 15.42 C ATOM 510 O ASP A 31 -14.089 -0.844 -4.925 1.00 64.33 O ATOM 511 CB ASP A 31 -15.946 -1.940 -7.556 1.00 61.45 C ATOM 512 CG ASP A 31 -17.006 -1.746 -6.458 1.00 2.30 C ATOM 513 OD1 ASP A 31 -17.627 -0.662 -6.404 1.00 23.11 O ATOM 514 OD2 ASP A 31 -17.213 -2.659 -5.628 1.00 74.32 O ATOM 0 H ASP A 31 -13.983 -2.126 -9.020 1.00 72.25 H new ATOM 0 HA ASP A 31 -14.827 -0.113 -7.225 1.00 40.31 H new ATOM 0 HB2 ASP A 31 -16.350 -1.597 -8.508 1.00 61.45 H new ATOM 0 HB3 ASP A 31 -15.733 -3.004 -7.664 1.00 61.45 H new ATOM 519 N LEU A 32 -13.489 -2.836 -5.855 1.00 50.35 N ATOM 520 CA LEU A 32 -12.893 -3.415 -4.634 1.00 32.20 C ATOM 521 C LEU A 32 -11.579 -2.712 -4.260 1.00 5.34 C ATOM 522 O LEU A 32 -11.174 -2.741 -3.085 1.00 71.13 O ATOM 523 CB LEU A 32 -12.670 -4.940 -4.794 1.00 51.41 C ATOM 524 CG LEU A 32 -13.951 -5.827 -4.863 1.00 2.03 C ATOM 525 CD1 LEU A 32 -13.574 -7.323 -4.970 1.00 52.43 C ATOM 526 CD2 LEU A 32 -14.880 -5.563 -3.649 1.00 61.24 C ATOM 0 H LEU A 32 -13.438 -3.452 -6.667 1.00 50.35 H new ATOM 0 HA LEU A 32 -13.600 -3.255 -3.820 1.00 32.20 H new ATOM 0 HB2 LEU A 32 -12.090 -5.107 -5.702 1.00 51.41 H new ATOM 0 HB3 LEU A 32 -12.061 -5.285 -3.959 1.00 51.41 H new ATOM 0 HG LEU A 32 -14.504 -5.556 -5.762 1.00 2.03 H new ATOM 0 HD11 LEU A 32 -14.482 -7.925 -5.017 1.00 52.43 H new ATOM 0 HD12 LEU A 32 -12.984 -7.486 -5.872 1.00 52.43 H new ATOM 0 HD13 LEU A 32 -12.990 -7.614 -4.097 1.00 52.43 H new ATOM 0 HD21 LEU A 32 -15.765 -6.195 -3.724 1.00 61.24 H new ATOM 0 HD22 LEU A 32 -14.347 -5.792 -2.726 1.00 61.24 H new ATOM 0 HD23 LEU A 32 -15.182 -4.516 -3.643 1.00 61.24 H new ATOM 538 N LEU A 33 -10.910 -2.099 -5.264 1.00 13.20 N ATOM 539 CA LEU A 33 -9.773 -1.198 -5.016 1.00 0.31 C ATOM 540 C LEU A 33 -10.259 0.013 -4.224 1.00 72.14 C ATOM 541 O LEU A 33 -9.779 0.255 -3.137 1.00 54.02 O ATOM 542 CB LEU A 33 -9.082 -0.734 -6.329 1.00 1.41 C ATOM 543 CG LEU A 33 -8.388 -1.844 -7.168 1.00 24.41 C ATOM 544 CD1 LEU A 33 -7.714 -1.250 -8.415 1.00 0.04 C ATOM 545 CD2 LEU A 33 -7.381 -2.634 -6.317 1.00 40.54 C ATOM 0 H LEU A 33 -11.142 -2.215 -6.250 1.00 13.20 H new ATOM 0 HA LEU A 33 -9.027 -1.751 -4.446 1.00 0.31 H new ATOM 0 HB2 LEU A 33 -9.829 -0.247 -6.956 1.00 1.41 H new ATOM 0 HB3 LEU A 33 -8.337 0.021 -6.076 1.00 1.41 H new ATOM 0 HG LEU A 33 -9.157 -2.540 -7.503 1.00 24.41 H new ATOM 0 HD11 LEU A 33 -7.236 -2.047 -8.985 1.00 0.04 H new ATOM 0 HD12 LEU A 33 -8.464 -0.760 -9.036 1.00 0.04 H new ATOM 0 HD13 LEU A 33 -6.963 -0.521 -8.110 1.00 0.04 H new ATOM 0 HD21 LEU A 33 -6.911 -3.403 -6.930 1.00 40.54 H new ATOM 0 HD22 LEU A 33 -6.617 -1.957 -5.936 1.00 40.54 H new ATOM 0 HD23 LEU A 33 -7.900 -3.103 -5.481 1.00 40.54 H new ATOM 557 N LEU A 34 -11.287 0.699 -4.763 1.00 4.34 N ATOM 558 CA LEU A 34 -11.853 1.935 -4.171 1.00 15.14 C ATOM 559 C LEU A 34 -12.555 1.669 -2.818 1.00 50.15 C ATOM 560 O LEU A 34 -12.745 2.596 -2.029 1.00 44.43 O ATOM 561 CB LEU A 34 -12.842 2.593 -5.173 1.00 22.11 C ATOM 562 CG LEU A 34 -12.240 3.007 -6.559 1.00 21.14 C ATOM 563 CD1 LEU A 34 -13.315 3.610 -7.489 1.00 22.11 C ATOM 564 CD2 LEU A 34 -11.040 3.960 -6.387 1.00 30.31 C ATOM 0 H LEU A 34 -11.752 0.413 -5.625 1.00 4.34 H new ATOM 0 HA LEU A 34 -11.025 2.615 -3.973 1.00 15.14 H new ATOM 0 HB2 LEU A 34 -13.665 1.900 -5.349 1.00 22.11 H new ATOM 0 HB3 LEU A 34 -13.267 3.480 -4.704 1.00 22.11 H new ATOM 0 HG LEU A 34 -11.872 2.100 -7.039 1.00 21.14 H new ATOM 0 HD11 LEU A 34 -12.860 3.885 -8.441 1.00 22.11 H new ATOM 0 HD12 LEU A 34 -14.101 2.875 -7.662 1.00 22.11 H new ATOM 0 HD13 LEU A 34 -13.744 4.497 -7.022 1.00 22.11 H new ATOM 0 HD21 LEU A 34 -10.645 4.228 -7.367 1.00 30.31 H new ATOM 0 HD22 LEU A 34 -11.363 4.862 -5.867 1.00 30.31 H new ATOM 0 HD23 LEU A 34 -10.262 3.465 -5.806 1.00 30.31 H new ATOM 576 N GLN A 35 -12.955 0.405 -2.585 1.00 51.42 N ATOM 577 CA GLN A 35 -13.559 -0.039 -1.310 1.00 5.45 C ATOM 578 C GLN A 35 -12.487 -0.089 -0.200 1.00 53.03 C ATOM 579 O GLN A 35 -12.585 0.599 0.818 1.00 65.25 O ATOM 580 CB GLN A 35 -14.209 -1.447 -1.500 1.00 0.44 C ATOM 581 CG GLN A 35 -14.871 -2.056 -0.238 1.00 10.32 C ATOM 582 CD GLN A 35 -16.035 -1.216 0.303 1.00 23.31 C ATOM 583 OE1 GLN A 35 -15.856 -0.356 1.165 1.00 23.41 O ATOM 584 NE2 GLN A 35 -17.232 -1.451 -0.206 1.00 54.44 N ATOM 0 H GLN A 35 -12.869 -0.341 -3.276 1.00 51.42 H new ATOM 0 HA GLN A 35 -14.330 0.672 -1.013 1.00 5.45 H new ATOM 0 HB2 GLN A 35 -14.962 -1.377 -2.285 1.00 0.44 H new ATOM 0 HB3 GLN A 35 -13.442 -2.136 -1.854 1.00 0.44 H new ATOM 0 HG2 GLN A 35 -15.233 -3.057 -0.473 1.00 10.32 H new ATOM 0 HG3 GLN A 35 -14.118 -2.165 0.542 1.00 10.32 H new ATOM 0 HE21 GLN A 35 -17.351 -2.170 -0.919 1.00 54.44 H new ATOM 0 HE22 GLN A 35 -18.037 -0.913 0.115 1.00 54.44 H new ATOM 593 N GLN A 36 -11.443 -0.885 -0.451 1.00 63.21 N ATOM 594 CA GLN A 36 -10.376 -1.201 0.521 1.00 41.20 C ATOM 595 C GLN A 36 -9.238 -0.158 0.495 1.00 14.54 C ATOM 596 O GLN A 36 -8.331 -0.226 1.323 1.00 31.11 O ATOM 597 CB GLN A 36 -9.870 -2.639 0.253 1.00 61.20 C ATOM 598 CG GLN A 36 -10.916 -3.745 0.579 1.00 30.13 C ATOM 599 CD GLN A 36 -10.642 -5.099 -0.087 1.00 52.33 C ATOM 600 OE1 GLN A 36 -10.200 -5.081 -1.334 1.00 53.43 O flip ATOM 601 NE2 GLN A 36 -10.893 -6.159 0.487 1.00 32.34 N flip ATOM 0 H GLN A 36 -11.307 -1.341 -1.353 1.00 63.21 H new ATOM 0 HA GLN A 36 -10.783 -1.154 1.531 1.00 41.20 H new ATOM 0 HB2 GLN A 36 -9.581 -2.723 -0.795 1.00 61.20 H new ATOM 0 HB3 GLN A 36 -8.973 -2.815 0.846 1.00 61.20 H new ATOM 0 HG2 GLN A 36 -10.951 -3.887 1.659 1.00 30.13 H new ATOM 0 HG3 GLN A 36 -11.902 -3.396 0.271 1.00 30.13 H new ATOM 0 HE21 GLN A 36 -11.233 -6.150 1.449 1.00 32.34 H new ATOM 0 HE22 GLN A 36 -10.761 -7.046 0.001 1.00 32.34 H new ATOM 610 N GLU A 37 -9.280 0.748 -0.504 1.00 70.11 N ATOM 611 CA GLU A 37 -8.337 1.884 -0.673 1.00 51.31 C ATOM 612 C GLU A 37 -8.122 2.658 0.640 1.00 71.24 C ATOM 613 O GLU A 37 -6.984 2.778 1.105 1.00 32.13 O ATOM 614 CB GLU A 37 -8.876 2.816 -1.804 1.00 71.51 C ATOM 615 CG GLU A 37 -8.165 4.190 -1.995 1.00 53.20 C ATOM 616 CD GLU A 37 -9.019 5.375 -1.510 1.00 5.43 C ATOM 617 OE1 GLU A 37 -10.001 5.722 -2.198 1.00 3.45 O ATOM 618 OE2 GLU A 37 -8.756 5.926 -0.422 1.00 72.41 O ATOM 0 H GLU A 37 -9.988 0.713 -1.237 1.00 70.11 H new ATOM 0 HA GLU A 37 -7.359 1.494 -0.955 1.00 51.31 H new ATOM 0 HB2 GLU A 37 -8.818 2.272 -2.747 1.00 71.51 H new ATOM 0 HB3 GLU A 37 -9.932 3.006 -1.610 1.00 71.51 H new ATOM 0 HG2 GLU A 37 -7.219 4.183 -1.453 1.00 53.20 H new ATOM 0 HG3 GLU A 37 -7.927 4.327 -3.050 1.00 53.20 H new ATOM 625 N VAL A 38 -9.237 3.121 1.249 1.00 42.24 N ATOM 626 CA VAL A 38 -9.219 3.852 2.533 1.00 62.20 C ATOM 627 C VAL A 38 -8.523 3.035 3.641 1.00 51.14 C ATOM 628 O VAL A 38 -7.679 3.569 4.359 1.00 44.02 O ATOM 629 CB VAL A 38 -10.675 4.277 2.975 1.00 44.13 C ATOM 630 CG1 VAL A 38 -11.645 3.072 3.026 1.00 1.20 C ATOM 631 CG2 VAL A 38 -10.664 5.064 4.316 1.00 24.22 C ATOM 0 H VAL A 38 -10.173 2.998 0.863 1.00 42.24 H new ATOM 0 HA VAL A 38 -8.638 4.761 2.378 1.00 62.20 H new ATOM 0 HB VAL A 38 -11.052 4.952 2.207 1.00 44.13 H new ATOM 0 HG11 VAL A 38 -12.633 3.413 3.335 1.00 1.20 H new ATOM 0 HG12 VAL A 38 -11.711 2.616 2.038 1.00 1.20 H new ATOM 0 HG13 VAL A 38 -11.275 2.337 3.741 1.00 1.20 H new ATOM 0 HG21 VAL A 38 -11.684 5.338 4.585 1.00 24.22 H new ATOM 0 HG22 VAL A 38 -10.237 4.440 5.101 1.00 24.22 H new ATOM 0 HG23 VAL A 38 -10.064 5.967 4.203 1.00 24.22 H new ATOM 641 N SER A 39 -8.831 1.724 3.700 1.00 63.32 N ATOM 642 CA SER A 39 -8.286 0.800 4.712 1.00 44.35 C ATOM 643 C SER A 39 -6.753 0.660 4.572 1.00 35.41 C ATOM 644 O SER A 39 -6.022 0.647 5.571 1.00 23.43 O ATOM 645 CB SER A 39 -8.966 -0.583 4.559 1.00 25.31 C ATOM 646 OG SER A 39 -10.382 -0.463 4.524 1.00 54.23 O ATOM 0 H SER A 39 -9.469 1.275 3.043 1.00 63.32 H new ATOM 0 HA SER A 39 -8.493 1.204 5.703 1.00 44.35 H new ATOM 0 HB2 SER A 39 -8.617 -1.063 3.644 1.00 25.31 H new ATOM 0 HB3 SER A 39 -8.674 -1.227 5.388 1.00 25.31 H new ATOM 0 HG SER A 39 -10.783 -1.352 4.425 1.00 54.23 H new ATOM 652 N TYR A 40 -6.300 0.583 3.308 1.00 31.23 N ATOM 653 CA TYR A 40 -4.886 0.392 2.955 1.00 64.43 C ATOM 654 C TYR A 40 -4.047 1.637 3.288 1.00 64.01 C ATOM 655 O TYR A 40 -2.976 1.530 3.890 1.00 34.51 O ATOM 656 CB TYR A 40 -4.764 0.051 1.451 1.00 62.10 C ATOM 657 CG TYR A 40 -3.331 -0.239 0.976 1.00 72.23 C ATOM 658 CD1 TYR A 40 -2.718 0.527 -0.017 1.00 14.24 C ATOM 659 CD2 TYR A 40 -2.597 -1.290 1.520 1.00 71.05 C ATOM 660 CE1 TYR A 40 -1.439 0.249 -0.451 1.00 72.01 C ATOM 661 CE2 TYR A 40 -1.318 -1.560 1.090 1.00 54.44 C ATOM 662 CZ TYR A 40 -0.742 -0.792 0.107 1.00 4.13 C ATOM 663 OH TYR A 40 0.537 -1.076 -0.326 1.00 34.04 O ATOM 0 H TYR A 40 -6.913 0.653 2.496 1.00 31.23 H new ATOM 0 HA TYR A 40 -4.497 -0.436 3.548 1.00 64.43 H new ATOM 0 HB2 TYR A 40 -5.387 -0.818 1.237 1.00 62.10 H new ATOM 0 HB3 TYR A 40 -5.165 0.881 0.870 1.00 62.10 H new ATOM 0 HD1 TYR A 40 -3.257 1.355 -0.454 1.00 14.24 H new ATOM 0 HD2 TYR A 40 -3.039 -1.903 2.292 1.00 71.05 H new ATOM 0 HE1 TYR A 40 -0.988 0.849 -1.228 1.00 72.01 H new ATOM 0 HE2 TYR A 40 -0.765 -2.378 1.527 1.00 54.44 H new ATOM 0 HH TYR A 40 1.042 -1.499 0.400 1.00 34.04 H new ATOM 673 N LEU A 41 -4.551 2.816 2.887 1.00 1.11 N ATOM 674 CA LEU A 41 -3.850 4.099 3.095 1.00 31.04 C ATOM 675 C LEU A 41 -3.854 4.485 4.588 1.00 0.32 C ATOM 676 O LEU A 41 -2.934 5.162 5.070 1.00 32.41 O ATOM 677 CB LEU A 41 -4.496 5.219 2.234 1.00 33.40 C ATOM 678 CG LEU A 41 -4.636 4.924 0.700 1.00 14.15 C ATOM 679 CD1 LEU A 41 -5.184 6.158 -0.059 1.00 5.23 C ATOM 680 CD2 LEU A 41 -3.310 4.406 0.081 1.00 24.45 C ATOM 0 H LEU A 41 -5.449 2.909 2.413 1.00 1.11 H new ATOM 0 HA LEU A 41 -2.814 3.980 2.778 1.00 31.04 H new ATOM 0 HB2 LEU A 41 -5.488 5.428 2.634 1.00 33.40 H new ATOM 0 HB3 LEU A 41 -3.905 6.127 2.355 1.00 33.40 H new ATOM 0 HG LEU A 41 -5.364 4.120 0.590 1.00 14.15 H new ATOM 0 HD11 LEU A 41 -5.270 5.924 -1.120 1.00 5.23 H new ATOM 0 HD12 LEU A 41 -6.165 6.422 0.335 1.00 5.23 H new ATOM 0 HD13 LEU A 41 -4.502 6.998 0.073 1.00 5.23 H new ATOM 0 HD21 LEU A 41 -3.455 4.215 -0.982 1.00 24.45 H new ATOM 0 HD22 LEU A 41 -2.530 5.156 0.212 1.00 24.45 H new ATOM 0 HD23 LEU A 41 -3.013 3.483 0.578 1.00 24.45 H new ATOM 692 N GLN A 42 -4.899 4.030 5.304 1.00 34.54 N ATOM 693 CA GLN A 42 -5.048 4.235 6.755 1.00 63.31 C ATOM 694 C GLN A 42 -4.030 3.376 7.534 1.00 41.23 C ATOM 695 O GLN A 42 -3.400 3.861 8.482 1.00 4.31 O ATOM 696 CB GLN A 42 -6.493 3.875 7.183 1.00 51.04 C ATOM 697 CG GLN A 42 -6.829 4.156 8.657 1.00 51.02 C ATOM 698 CD GLN A 42 -8.244 3.718 9.041 1.00 75.53 C ATOM 699 OE1 GLN A 42 -8.782 2.757 8.494 1.00 41.01 O ATOM 700 NE2 GLN A 42 -8.853 4.407 9.986 1.00 52.53 N ATOM 0 H GLN A 42 -5.669 3.506 4.888 1.00 34.54 H new ATOM 0 HA GLN A 42 -4.854 5.283 6.985 1.00 63.31 H new ATOM 0 HB2 GLN A 42 -7.190 4.431 6.556 1.00 51.04 H new ATOM 0 HB3 GLN A 42 -6.661 2.816 6.984 1.00 51.04 H new ATOM 0 HG2 GLN A 42 -6.110 3.640 9.293 1.00 51.02 H new ATOM 0 HG3 GLN A 42 -6.719 5.223 8.852 1.00 51.02 H new ATOM 0 HE21 GLN A 42 -8.383 5.200 10.423 1.00 52.53 H new ATOM 0 HE22 GLN A 42 -9.794 4.147 10.280 1.00 52.53 H new ATOM 709 N SER A 43 -3.876 2.095 7.119 1.00 30.33 N ATOM 710 CA SER A 43 -2.921 1.160 7.752 1.00 32.12 C ATOM 711 C SER A 43 -1.460 1.606 7.497 1.00 54.21 C ATOM 712 O SER A 43 -0.602 1.495 8.387 1.00 73.43 O ATOM 713 CB SER A 43 -3.177 -0.291 7.274 1.00 4.45 C ATOM 714 OG SER A 43 -3.166 -0.405 5.860 1.00 12.05 O ATOM 0 H SER A 43 -4.403 1.688 6.347 1.00 30.33 H new ATOM 0 HA SER A 43 -3.079 1.180 8.830 1.00 32.12 H new ATOM 0 HB2 SER A 43 -2.416 -0.949 7.695 1.00 4.45 H new ATOM 0 HB3 SER A 43 -4.139 -0.632 7.656 1.00 4.45 H new ATOM 0 HG SER A 43 -3.055 0.483 5.461 1.00 12.05 H new ATOM 720 N ILE A 44 -1.213 2.131 6.276 1.00 61.11 N ATOM 721 CA ILE A 44 0.060 2.788 5.889 1.00 4.22 C ATOM 722 C ILE A 44 0.373 3.965 6.837 1.00 33.51 C ATOM 723 O ILE A 44 1.472 4.045 7.423 1.00 71.31 O ATOM 724 CB ILE A 44 -0.025 3.286 4.381 1.00 44.11 C ATOM 725 CG1 ILE A 44 0.156 2.086 3.391 1.00 35.44 C ATOM 726 CG2 ILE A 44 0.965 4.439 4.066 1.00 50.31 C ATOM 727 CD1 ILE A 44 0.036 2.442 1.915 1.00 23.32 C ATOM 0 H ILE A 44 -1.899 2.111 5.521 1.00 61.11 H new ATOM 0 HA ILE A 44 0.870 2.064 5.973 1.00 4.22 H new ATOM 0 HB ILE A 44 -1.023 3.702 4.241 1.00 44.11 H new ATOM 0 HG12 ILE A 44 1.135 1.638 3.562 1.00 35.44 H new ATOM 0 HG13 ILE A 44 -0.588 1.325 3.627 1.00 35.44 H new ATOM 0 HG21 ILE A 44 0.859 4.735 3.022 1.00 50.31 H new ATOM 0 HG22 ILE A 44 0.747 5.292 4.709 1.00 50.31 H new ATOM 0 HG23 ILE A 44 1.986 4.101 4.246 1.00 50.31 H new ATOM 0 HD11 ILE A 44 0.176 1.545 1.312 1.00 23.32 H new ATOM 0 HD12 ILE A 44 -0.952 2.859 1.720 1.00 23.32 H new ATOM 0 HD13 ILE A 44 0.798 3.177 1.655 1.00 23.32 H new ATOM 739 N GLU A 45 -0.629 4.845 6.990 1.00 44.30 N ATOM 740 CA GLU A 45 -0.532 6.063 7.804 1.00 24.10 C ATOM 741 C GLU A 45 -0.155 5.728 9.255 1.00 3.34 C ATOM 742 O GLU A 45 0.760 6.329 9.826 1.00 62.14 O ATOM 743 CB GLU A 45 -1.891 6.805 7.763 1.00 32.41 C ATOM 744 CG GLU A 45 -1.936 8.133 8.538 1.00 24.20 C ATOM 745 CD GLU A 45 -3.346 8.739 8.558 1.00 51.11 C ATOM 746 OE1 GLU A 45 -4.115 8.450 9.504 1.00 44.04 O ATOM 747 OE2 GLU A 45 -3.703 9.484 7.619 1.00 52.23 O ATOM 0 H GLU A 45 -1.540 4.728 6.546 1.00 44.30 H new ATOM 0 HA GLU A 45 0.252 6.701 7.396 1.00 24.10 H new ATOM 0 HB2 GLU A 45 -2.148 7.001 6.722 1.00 32.41 H new ATOM 0 HB3 GLU A 45 -2.660 6.144 8.162 1.00 32.41 H new ATOM 0 HG2 GLU A 45 -1.598 7.968 9.561 1.00 24.20 H new ATOM 0 HG3 GLU A 45 -1.243 8.841 8.084 1.00 24.20 H new ATOM 754 N THR A 46 -0.845 4.719 9.816 1.00 54.54 N ATOM 755 CA THR A 46 -0.714 4.359 11.233 1.00 1.12 C ATOM 756 C THR A 46 0.564 3.528 11.507 1.00 73.21 C ATOM 757 O THR A 46 1.089 3.573 12.624 1.00 42.23 O ATOM 758 CB THR A 46 -1.996 3.622 11.759 1.00 74.45 C ATOM 759 OG1 THR A 46 -1.984 3.565 13.193 1.00 15.41 O ATOM 760 CG2 THR A 46 -2.131 2.194 11.211 1.00 42.35 C ATOM 0 H THR A 46 -1.504 4.135 9.301 1.00 54.54 H new ATOM 0 HA THR A 46 -0.615 5.292 11.789 1.00 1.12 H new ATOM 0 HB THR A 46 -2.849 4.201 11.404 1.00 74.45 H new ATOM 0 HG1 THR A 46 -1.512 4.347 13.548 1.00 15.41 H new ATOM 0 HG21 THR A 46 -3.036 1.735 11.610 1.00 42.35 H new ATOM 0 HG22 THR A 46 -2.189 2.226 10.123 1.00 42.35 H new ATOM 0 HG23 THR A 46 -1.264 1.606 11.511 1.00 42.35 H new ATOM 768 N VAL A 47 1.091 2.791 10.495 1.00 52.52 N ATOM 769 CA VAL A 47 2.353 2.027 10.674 1.00 33.53 C ATOM 770 C VAL A 47 3.556 2.976 10.627 1.00 1.41 C ATOM 771 O VAL A 47 4.552 2.772 11.319 1.00 53.52 O ATOM 772 CB VAL A 47 2.552 0.870 9.616 1.00 74.42 C ATOM 773 CG1 VAL A 47 3.142 1.368 8.265 1.00 14.01 C ATOM 774 CG2 VAL A 47 3.413 -0.259 10.210 1.00 14.21 C ATOM 0 H VAL A 47 0.673 2.710 9.568 1.00 52.52 H new ATOM 0 HA VAL A 47 2.280 1.549 11.651 1.00 33.53 H new ATOM 0 HB VAL A 47 1.560 0.481 9.387 1.00 74.42 H new ATOM 0 HG11 VAL A 47 3.253 0.525 7.584 1.00 14.01 H new ATOM 0 HG12 VAL A 47 2.470 2.104 7.824 1.00 14.01 H new ATOM 0 HG13 VAL A 47 4.116 1.824 8.440 1.00 14.01 H new ATOM 0 HG21 VAL A 47 3.540 -1.048 9.469 1.00 14.21 H new ATOM 0 HG22 VAL A 47 4.389 0.137 10.490 1.00 14.21 H new ATOM 0 HG23 VAL A 47 2.920 -0.667 11.092 1.00 14.21 H new ATOM 784 N MET A 48 3.448 4.011 9.774 1.00 4.33 N ATOM 785 CA MET A 48 4.485 5.040 9.639 1.00 11.31 C ATOM 786 C MET A 48 4.419 5.996 10.844 1.00 43.21 C ATOM 787 O MET A 48 5.435 6.561 11.248 1.00 33.32 O ATOM 788 CB MET A 48 4.313 5.767 8.279 1.00 60.15 C ATOM 789 CG MET A 48 5.444 6.733 7.900 1.00 34.40 C ATOM 790 SD MET A 48 5.475 7.074 6.120 1.00 1.50 S ATOM 791 CE MET A 48 5.941 5.467 5.449 1.00 10.24 C ATOM 0 H MET A 48 2.643 4.154 9.164 1.00 4.33 H new ATOM 0 HA MET A 48 5.479 4.592 9.641 1.00 11.31 H new ATOM 0 HB2 MET A 48 4.221 5.016 7.494 1.00 60.15 H new ATOM 0 HB3 MET A 48 3.375 6.323 8.300 1.00 60.15 H new ATOM 0 HG2 MET A 48 5.321 7.668 8.446 1.00 34.40 H new ATOM 0 HG3 MET A 48 6.401 6.309 8.205 1.00 34.40 H new ATOM 0 HE1 MET A 48 6.926 5.537 4.988 1.00 10.24 H new ATOM 0 HE2 MET A 48 5.968 4.731 6.253 1.00 10.24 H new ATOM 0 HE3 MET A 48 5.211 5.160 4.700 1.00 10.24 H new ATOM 801 N GLU A 49 3.208 6.123 11.418 1.00 73.23 N ATOM 802 CA GLU A 49 2.964 6.810 12.701 1.00 22.52 C ATOM 803 C GLU A 49 3.644 6.060 13.873 1.00 5.01 C ATOM 804 O GLU A 49 4.161 6.688 14.800 1.00 34.15 O ATOM 805 CB GLU A 49 1.432 6.872 12.942 1.00 2.53 C ATOM 806 CG GLU A 49 0.981 7.334 14.347 1.00 53.55 C ATOM 807 CD GLU A 49 -0.458 6.902 14.663 1.00 40.13 C ATOM 808 OE1 GLU A 49 -1.393 7.721 14.543 1.00 2.32 O ATOM 809 OE2 GLU A 49 -0.662 5.719 15.018 1.00 13.15 O ATOM 0 H GLU A 49 2.359 5.746 10.997 1.00 73.23 H new ATOM 0 HA GLU A 49 3.386 7.814 12.654 1.00 22.52 H new ATOM 0 HB2 GLU A 49 0.996 7.545 12.204 1.00 2.53 H new ATOM 0 HB3 GLU A 49 1.015 5.882 12.757 1.00 2.53 H new ATOM 0 HG2 GLU A 49 1.656 6.922 15.097 1.00 53.55 H new ATOM 0 HG3 GLU A 49 1.056 8.419 14.413 1.00 53.55 H new ATOM 816 N LYS A 50 3.648 4.715 13.801 1.00 54.51 N ATOM 817 CA LYS A 50 4.195 3.843 14.858 1.00 52.13 C ATOM 818 C LYS A 50 5.431 3.119 14.286 1.00 12.31 C ATOM 819 O LYS A 50 5.381 1.930 13.944 1.00 32.33 O ATOM 820 CB LYS A 50 3.084 2.853 15.366 1.00 1.54 C ATOM 821 CG LYS A 50 3.269 2.269 16.798 1.00 11.01 C ATOM 822 CD LYS A 50 4.429 1.253 16.918 1.00 4.32 C ATOM 823 CE LYS A 50 4.600 0.722 18.343 1.00 11.52 C ATOM 824 NZ LYS A 50 4.904 1.799 19.328 1.00 42.00 N ATOM 0 H LYS A 50 3.270 4.201 13.005 1.00 54.51 H new ATOM 0 HA LYS A 50 4.509 4.421 15.727 1.00 52.13 H new ATOM 0 HB2 LYS A 50 2.125 3.370 15.331 1.00 1.54 H new ATOM 0 HB3 LYS A 50 3.023 2.021 14.664 1.00 1.54 H new ATOM 0 HG2 LYS A 50 3.445 3.089 17.494 1.00 11.01 H new ATOM 0 HG3 LYS A 50 2.342 1.784 17.104 1.00 11.01 H new ATOM 0 HD2 LYS A 50 4.247 0.417 16.242 1.00 4.32 H new ATOM 0 HD3 LYS A 50 5.357 1.726 16.597 1.00 4.32 H new ATOM 0 HE2 LYS A 50 3.689 0.206 18.645 1.00 11.52 H new ATOM 0 HE3 LYS A 50 5.403 -0.015 18.357 1.00 11.52 H new ATOM 0 HZ1 LYS A 50 5.143 1.373 20.246 1.00 42.00 H new ATOM 0 HZ2 LYS A 50 5.709 2.363 18.988 1.00 42.00 H new ATOM 0 HZ3 LYS A 50 4.072 2.414 19.438 1.00 42.00 H new ATOM 838 N GLN A 51 6.509 3.884 14.112 1.00 21.34 N ATOM 839 CA GLN A 51 7.805 3.379 13.621 1.00 62.12 C ATOM 840 C GLN A 51 8.668 2.968 14.832 1.00 14.30 C ATOM 841 O GLN A 51 8.761 3.715 15.821 1.00 64.13 O ATOM 842 CB GLN A 51 8.533 4.456 12.729 1.00 33.32 C ATOM 843 CG GLN A 51 9.132 5.686 13.474 1.00 15.22 C ATOM 844 CD GLN A 51 8.100 6.586 14.184 1.00 50.12 C ATOM 845 OE1 GLN A 51 6.981 6.784 13.710 1.00 75.25 O ATOM 846 NE2 GLN A 51 8.453 7.092 15.353 1.00 71.34 N ATOM 0 H GLN A 51 6.514 4.885 14.309 1.00 21.34 H new ATOM 0 HA GLN A 51 7.641 2.507 12.987 1.00 62.12 H new ATOM 0 HB2 GLN A 51 9.338 3.961 12.186 1.00 33.32 H new ATOM 0 HB3 GLN A 51 7.823 4.820 11.986 1.00 33.32 H new ATOM 0 HG2 GLN A 51 9.850 5.330 14.213 1.00 15.22 H new ATOM 0 HG3 GLN A 51 9.687 6.291 12.757 1.00 15.22 H new ATOM 0 HE21 GLN A 51 9.386 6.914 15.725 1.00 71.34 H new ATOM 0 HE22 GLN A 51 7.792 7.660 15.883 1.00 71.34 H new ATOM 855 N THR A 52 9.233 1.752 14.800 1.00 34.44 N ATOM 856 CA THR A 52 10.191 1.302 15.824 1.00 1.53 C ATOM 857 C THR A 52 11.629 1.674 15.386 1.00 43.34 C ATOM 858 O THR A 52 11.923 1.618 14.188 1.00 64.32 O ATOM 859 CB THR A 52 10.090 -0.242 16.071 1.00 63.32 C ATOM 860 OG1 THR A 52 10.302 -0.957 14.847 1.00 53.31 O ATOM 861 CG2 THR A 52 8.732 -0.650 16.674 1.00 45.05 C ATOM 0 H THR A 52 9.043 1.060 14.075 1.00 34.44 H new ATOM 0 HA THR A 52 9.947 1.804 16.760 1.00 1.53 H new ATOM 0 HB THR A 52 10.867 -0.499 16.791 1.00 63.32 H new ATOM 0 HG1 THR A 52 9.505 -0.882 14.282 1.00 53.31 H new ATOM 0 HG21 THR A 52 8.711 -1.729 16.827 1.00 45.05 H new ATOM 0 HG22 THR A 52 8.592 -0.146 17.630 1.00 45.05 H new ATOM 0 HG23 THR A 52 7.931 -0.364 15.992 1.00 45.05 H new ATOM 869 N PRO A 53 12.530 2.092 16.335 1.00 21.21 N ATOM 870 CA PRO A 53 13.981 2.312 16.047 1.00 12.35 C ATOM 871 C PRO A 53 14.713 1.049 15.478 1.00 43.33 C ATOM 872 O PRO A 53 14.159 -0.060 15.533 1.00 24.12 O ATOM 873 CB PRO A 53 14.548 2.722 17.441 1.00 22.31 C ATOM 874 CG PRO A 53 13.377 3.284 18.184 1.00 42.21 C ATOM 875 CD PRO A 53 12.202 2.439 17.752 1.00 43.01 C ATOM 0 HA PRO A 53 14.132 3.057 15.266 1.00 12.35 H new ATOM 0 HB2 PRO A 53 14.972 1.864 17.963 1.00 22.31 H new ATOM 0 HB3 PRO A 53 15.344 3.460 17.342 1.00 22.31 H new ATOM 0 HG2 PRO A 53 13.529 3.228 19.262 1.00 42.21 H new ATOM 0 HG3 PRO A 53 13.220 4.334 17.938 1.00 42.21 H new ATOM 0 HD2 PRO A 53 12.099 1.548 18.371 1.00 43.01 H new ATOM 0 HD3 PRO A 53 11.263 2.988 17.825 1.00 43.01 H new ATOM 883 N PRO A 54 15.959 1.221 14.898 1.00 52.03 N ATOM 884 CA PRO A 54 16.806 0.108 14.381 1.00 75.40 C ATOM 885 C PRO A 54 16.944 -1.093 15.337 1.00 71.43 C ATOM 886 O PRO A 54 16.869 -2.234 14.889 1.00 53.10 O ATOM 887 CB PRO A 54 18.171 0.780 14.140 1.00 3.21 C ATOM 888 CG PRO A 54 17.824 2.188 13.786 1.00 50.31 C ATOM 889 CD PRO A 54 16.630 2.534 14.654 1.00 73.23 C ATOM 0 HA PRO A 54 16.359 -0.335 13.491 1.00 75.40 H new ATOM 0 HB2 PRO A 54 18.800 0.736 15.029 1.00 3.21 H new ATOM 0 HB3 PRO A 54 18.720 0.290 13.336 1.00 3.21 H new ATOM 0 HG2 PRO A 54 18.660 2.860 13.980 1.00 50.31 H new ATOM 0 HG3 PRO A 54 17.581 2.279 12.727 1.00 50.31 H new ATOM 0 HD2 PRO A 54 16.940 3.002 15.588 1.00 73.23 H new ATOM 0 HD3 PRO A 54 15.963 3.235 14.152 1.00 73.23 H new ATOM 897 N GLY A 55 17.208 -0.817 16.637 1.00 4.50 N ATOM 898 CA GLY A 55 17.348 -1.870 17.661 1.00 1.24 C ATOM 899 C GLY A 55 16.066 -2.679 17.867 1.00 44.45 C ATOM 900 O GLY A 55 15.299 -2.429 18.805 1.00 63.34 O ATOM 0 H GLY A 55 17.328 0.130 16.998 1.00 4.50 H new ATOM 0 HA2 GLY A 55 18.154 -2.545 17.372 1.00 1.24 H new ATOM 0 HA3 GLY A 55 17.638 -1.413 18.607 1.00 1.24 H new ATOM 904 N ILE A 56 15.851 -3.658 16.977 1.00 54.54 N ATOM 905 CA ILE A 56 14.637 -4.484 16.925 1.00 0.31 C ATOM 906 C ILE A 56 15.048 -5.975 16.911 1.00 55.32 C ATOM 907 O ILE A 56 16.140 -6.323 16.431 1.00 34.22 O ATOM 908 CB ILE A 56 13.759 -4.099 15.658 1.00 15.33 C ATOM 909 CG1 ILE A 56 12.364 -4.810 15.658 1.00 4.51 C ATOM 910 CG2 ILE A 56 14.519 -4.359 14.336 1.00 41.30 C ATOM 911 CD1 ILE A 56 11.429 -4.387 16.788 1.00 73.12 C ATOM 0 H ILE A 56 16.531 -3.903 16.258 1.00 54.54 H new ATOM 0 HA ILE A 56 14.021 -4.302 17.806 1.00 0.31 H new ATOM 0 HB ILE A 56 13.569 -3.028 15.729 1.00 15.33 H new ATOM 0 HG12 ILE A 56 11.872 -4.613 14.706 1.00 4.51 H new ATOM 0 HG13 ILE A 56 12.521 -5.887 15.719 1.00 4.51 H new ATOM 0 HG21 ILE A 56 13.886 -4.084 13.492 1.00 41.30 H new ATOM 0 HG22 ILE A 56 15.430 -3.761 14.317 1.00 41.30 H new ATOM 0 HG23 ILE A 56 14.777 -5.416 14.266 1.00 41.30 H new ATOM 0 HD11 ILE A 56 10.489 -4.932 16.705 1.00 73.12 H new ATOM 0 HD12 ILE A 56 11.894 -4.610 17.748 1.00 73.12 H new ATOM 0 HD13 ILE A 56 11.235 -3.317 16.719 1.00 73.12 H new ATOM 923 N THR A 57 14.181 -6.835 17.467 1.00 41.21 N ATOM 924 CA THR A 57 14.430 -8.279 17.613 1.00 62.33 C ATOM 925 C THR A 57 14.298 -9.028 16.264 1.00 43.03 C ATOM 926 O THR A 57 13.639 -8.533 15.336 1.00 61.33 O ATOM 927 CB THR A 57 13.432 -8.874 18.657 1.00 30.41 C ATOM 928 OG1 THR A 57 12.108 -8.498 18.296 1.00 44.43 O ATOM 929 CG2 THR A 57 13.713 -8.376 20.086 1.00 1.12 C ATOM 0 H THR A 57 13.275 -6.544 17.833 1.00 41.21 H new ATOM 0 HA THR A 57 15.455 -8.412 17.959 1.00 62.33 H new ATOM 0 HB THR A 57 13.554 -9.957 18.650 1.00 30.41 H new ATOM 0 HG1 THR A 57 11.474 -8.869 18.945 1.00 44.43 H new ATOM 0 HG21 THR A 57 12.992 -8.818 20.774 1.00 1.12 H new ATOM 0 HG22 THR A 57 14.721 -8.666 20.381 1.00 1.12 H new ATOM 0 HG23 THR A 57 13.625 -7.290 20.117 1.00 1.12 H new ATOM 937 N ARG A 58 14.916 -10.231 16.202 1.00 42.25 N ATOM 938 CA ARG A 58 15.008 -11.071 14.984 1.00 20.33 C ATOM 939 C ARG A 58 13.637 -11.399 14.376 1.00 62.54 C ATOM 940 O ARG A 58 13.427 -11.167 13.186 1.00 34.05 O ATOM 941 CB ARG A 58 15.803 -12.401 15.278 1.00 61.23 C ATOM 942 CG ARG A 58 17.297 -12.358 14.877 1.00 12.53 C ATOM 943 CD ARG A 58 17.487 -12.233 13.351 1.00 50.43 C ATOM 944 NE ARG A 58 16.867 -13.361 12.620 1.00 23.41 N ATOM 945 CZ ARG A 58 16.199 -13.271 11.451 1.00 1.01 C ATOM 946 NH1 ARG A 58 16.029 -12.102 10.841 1.00 71.42 N ATOM 947 NH2 ARG A 58 15.705 -14.363 10.890 1.00 44.24 N ATOM 0 H ARG A 58 15.373 -10.652 17.011 1.00 42.25 H new ATOM 0 HA ARG A 58 15.551 -10.480 14.247 1.00 20.33 H new ATOM 0 HB2 ARG A 58 15.732 -12.624 16.343 1.00 61.23 H new ATOM 0 HB3 ARG A 58 15.321 -13.222 14.748 1.00 61.23 H new ATOM 0 HG2 ARG A 58 17.780 -11.516 15.372 1.00 12.53 H new ATOM 0 HG3 ARG A 58 17.793 -13.262 15.230 1.00 12.53 H new ATOM 0 HD2 ARG A 58 17.051 -11.295 13.007 1.00 50.43 H new ATOM 0 HD3 ARG A 58 18.552 -12.193 13.120 1.00 50.43 H new ATOM 0 HE ARG A 58 16.952 -14.288 13.037 1.00 23.41 H new ATOM 0 HH11 ARG A 58 16.407 -11.250 11.256 1.00 71.42 H new ATOM 0 HH12 ARG A 58 15.521 -12.057 9.958 1.00 71.42 H new ATOM 0 HH21 ARG A 58 15.830 -15.269 11.341 1.00 44.24 H new ATOM 0 HH22 ARG A 58 15.200 -14.298 10.006 1.00 44.24 H new ATOM 961 N SER A 59 12.722 -11.926 15.210 1.00 24.31 N ATOM 962 CA SER A 59 11.415 -12.430 14.750 1.00 61.01 C ATOM 963 C SER A 59 10.555 -11.300 14.154 1.00 75.21 C ATOM 964 O SER A 59 10.003 -11.448 13.047 1.00 23.41 O ATOM 965 CB SER A 59 10.679 -13.132 15.912 1.00 30.14 C ATOM 966 OG SER A 59 11.515 -14.105 16.530 1.00 0.24 O ATOM 0 H SER A 59 12.866 -12.014 16.216 1.00 24.31 H new ATOM 0 HA SER A 59 11.589 -13.157 13.957 1.00 61.01 H new ATOM 0 HB2 SER A 59 10.368 -12.393 16.650 1.00 30.14 H new ATOM 0 HB3 SER A 59 9.773 -13.610 15.538 1.00 30.14 H new ATOM 0 HG SER A 59 11.029 -14.535 17.264 1.00 0.24 H new ATOM 972 N ILE A 60 10.484 -10.163 14.885 1.00 1.42 N ATOM 973 CA ILE A 60 9.730 -8.973 14.445 1.00 53.35 C ATOM 974 C ILE A 60 10.297 -8.465 13.114 1.00 50.22 C ATOM 975 O ILE A 60 9.575 -8.394 12.132 1.00 52.55 O ATOM 976 CB ILE A 60 9.767 -7.794 15.491 1.00 4.13 C ATOM 977 CG1 ILE A 60 9.229 -8.259 16.873 1.00 3.14 C ATOM 978 CG2 ILE A 60 8.967 -6.559 14.973 1.00 43.23 C ATOM 979 CD1 ILE A 60 9.287 -7.199 17.961 1.00 73.22 C ATOM 0 H ILE A 60 10.944 -10.048 15.788 1.00 1.42 H new ATOM 0 HA ILE A 60 8.692 -9.286 14.338 1.00 53.35 H new ATOM 0 HB ILE A 60 10.807 -7.493 15.616 1.00 4.13 H new ATOM 0 HG12 ILE A 60 8.195 -8.585 16.755 1.00 3.14 H new ATOM 0 HG13 ILE A 60 9.802 -9.127 17.198 1.00 3.14 H new ATOM 0 HG21 ILE A 60 9.009 -5.761 15.714 1.00 43.23 H new ATOM 0 HG22 ILE A 60 9.404 -6.209 14.038 1.00 43.23 H new ATOM 0 HG23 ILE A 60 7.928 -6.843 14.805 1.00 43.23 H new ATOM 0 HD11 ILE A 60 8.892 -7.610 18.890 1.00 73.22 H new ATOM 0 HD12 ILE A 60 10.321 -6.889 18.112 1.00 73.22 H new ATOM 0 HD13 ILE A 60 8.690 -6.338 17.662 1.00 73.22 H new ATOM 991 N GLN A 61 11.616 -8.178 13.105 1.00 62.14 N ATOM 992 CA GLN A 61 12.321 -7.599 11.941 1.00 14.12 C ATOM 993 C GLN A 61 12.161 -8.500 10.702 1.00 40.30 C ATOM 994 O GLN A 61 11.908 -7.999 9.616 1.00 43.41 O ATOM 995 CB GLN A 61 13.825 -7.378 12.298 1.00 72.34 C ATOM 996 CG GLN A 61 14.681 -6.528 11.302 1.00 45.24 C ATOM 997 CD GLN A 61 15.225 -7.294 10.086 1.00 61.54 C ATOM 998 OE1 GLN A 61 14.527 -7.245 8.964 1.00 23.34 O flip ATOM 999 NE2 GLN A 61 16.285 -7.910 10.158 1.00 53.05 N flip ATOM 0 H GLN A 61 12.224 -8.342 13.907 1.00 62.14 H new ATOM 0 HA GLN A 61 11.878 -6.633 11.697 1.00 14.12 H new ATOM 0 HB2 GLN A 61 13.873 -6.900 13.277 1.00 72.34 H new ATOM 0 HB3 GLN A 61 14.295 -8.356 12.397 1.00 72.34 H new ATOM 0 HG2 GLN A 61 14.074 -5.696 10.945 1.00 45.24 H new ATOM 0 HG3 GLN A 61 15.522 -6.098 11.846 1.00 45.24 H new ATOM 0 HE21 GLN A 61 16.804 -7.932 11.036 1.00 53.05 H new ATOM 0 HE22 GLN A 61 16.647 -8.400 9.340 1.00 53.05 H new ATOM 1008 N ASP A 62 12.258 -9.826 10.908 1.00 63.40 N ATOM 1009 CA ASP A 62 12.209 -10.828 9.823 1.00 41.32 C ATOM 1010 C ASP A 62 10.816 -10.861 9.172 1.00 45.53 C ATOM 1011 O ASP A 62 10.696 -10.713 7.948 1.00 70.51 O ATOM 1012 CB ASP A 62 12.574 -12.239 10.369 1.00 55.34 C ATOM 1013 CG ASP A 62 12.744 -13.293 9.260 1.00 2.30 C ATOM 1014 OD1 ASP A 62 13.888 -13.486 8.784 1.00 13.04 O ATOM 1015 OD2 ASP A 62 11.743 -13.924 8.847 1.00 24.14 O ATOM 0 H ASP A 62 12.373 -10.236 11.835 1.00 63.40 H new ATOM 0 HA ASP A 62 12.939 -10.542 9.066 1.00 41.32 H new ATOM 0 HB2 ASP A 62 13.499 -12.172 10.942 1.00 55.34 H new ATOM 0 HB3 ASP A 62 11.795 -12.568 11.057 1.00 55.34 H new ATOM 1020 N MET A 63 9.774 -11.046 10.014 1.00 5.22 N ATOM 1021 CA MET A 63 8.371 -11.128 9.552 1.00 24.50 C ATOM 1022 C MET A 63 7.935 -9.808 8.903 1.00 14.11 C ATOM 1023 O MET A 63 7.332 -9.815 7.831 1.00 13.52 O ATOM 1024 CB MET A 63 7.411 -11.493 10.715 1.00 74.32 C ATOM 1025 CG MET A 63 7.606 -12.902 11.287 1.00 51.25 C ATOM 1026 SD MET A 63 6.429 -13.280 12.608 1.00 1.14 S ATOM 1027 CE MET A 63 6.845 -12.041 13.840 1.00 12.52 C ATOM 0 H MET A 63 9.881 -11.142 11.024 1.00 5.22 H new ATOM 0 HA MET A 63 8.318 -11.922 8.807 1.00 24.50 H new ATOM 0 HB2 MET A 63 7.543 -10.768 11.518 1.00 74.32 H new ATOM 0 HB3 MET A 63 6.384 -11.397 10.364 1.00 74.32 H new ATOM 0 HG2 MET A 63 7.497 -13.634 10.487 1.00 51.25 H new ATOM 0 HG3 MET A 63 8.622 -12.998 11.671 1.00 51.25 H new ATOM 0 HE1 MET A 63 6.220 -12.181 14.722 1.00 12.52 H new ATOM 0 HE2 MET A 63 7.894 -12.143 14.118 1.00 12.52 H new ATOM 0 HE3 MET A 63 6.674 -11.046 13.428 1.00 12.52 H new ATOM 1037 N VAL A 64 8.288 -8.687 9.560 1.00 53.43 N ATOM 1038 CA VAL A 64 8.009 -7.327 9.069 1.00 54.41 C ATOM 1039 C VAL A 64 8.717 -7.073 7.729 1.00 73.30 C ATOM 1040 O VAL A 64 8.125 -6.489 6.835 1.00 31.10 O ATOM 1041 CB VAL A 64 8.396 -6.237 10.148 1.00 65.04 C ATOM 1042 CG1 VAL A 64 8.491 -4.819 9.547 1.00 2.03 C ATOM 1043 CG2 VAL A 64 7.392 -6.261 11.334 1.00 0.44 C ATOM 0 H VAL A 64 8.779 -8.702 10.454 1.00 53.43 H new ATOM 0 HA VAL A 64 6.936 -7.244 8.897 1.00 54.41 H new ATOM 0 HB VAL A 64 9.389 -6.494 10.517 1.00 65.04 H new ATOM 0 HG11 VAL A 64 8.759 -4.109 10.330 1.00 2.03 H new ATOM 0 HG12 VAL A 64 9.253 -4.805 8.767 1.00 2.03 H new ATOM 0 HG13 VAL A 64 7.528 -4.540 9.119 1.00 2.03 H new ATOM 0 HG21 VAL A 64 7.675 -5.504 12.066 1.00 0.44 H new ATOM 0 HG22 VAL A 64 6.388 -6.051 10.965 1.00 0.44 H new ATOM 0 HG23 VAL A 64 7.408 -7.244 11.804 1.00 0.44 H new ATOM 1053 N ALA A 65 9.963 -7.567 7.593 1.00 41.51 N ATOM 1054 CA ALA A 65 10.734 -7.456 6.334 1.00 24.11 C ATOM 1055 C ALA A 65 10.055 -8.258 5.213 1.00 33.21 C ATOM 1056 O ALA A 65 10.082 -7.849 4.051 1.00 32.02 O ATOM 1057 CB ALA A 65 12.175 -7.935 6.530 1.00 35.55 C ATOM 0 H ALA A 65 10.461 -8.049 8.341 1.00 41.51 H new ATOM 0 HA ALA A 65 10.759 -6.405 6.047 1.00 24.11 H new ATOM 0 HB1 ALA A 65 12.720 -7.843 5.590 1.00 35.55 H new ATOM 0 HB2 ALA A 65 12.661 -7.326 7.292 1.00 35.55 H new ATOM 0 HB3 ALA A 65 12.172 -8.978 6.847 1.00 35.55 H new ATOM 1063 N GLY A 66 9.429 -9.393 5.600 1.00 21.12 N ATOM 1064 CA GLY A 66 8.596 -10.179 4.689 1.00 25.23 C ATOM 1065 C GLY A 66 7.386 -9.387 4.217 1.00 15.32 C ATOM 1066 O GLY A 66 7.133 -9.298 3.017 1.00 12.41 O ATOM 0 H GLY A 66 9.492 -9.778 6.542 1.00 21.12 H new ATOM 0 HA2 GLY A 66 9.188 -10.488 3.828 1.00 25.23 H new ATOM 0 HA3 GLY A 66 8.264 -11.088 5.191 1.00 25.23 H new ATOM 1070 N TYR A 67 6.696 -8.741 5.179 1.00 10.30 N ATOM 1071 CA TYR A 67 5.514 -7.900 4.910 1.00 51.12 C ATOM 1072 C TYR A 67 5.883 -6.679 4.042 1.00 44.45 C ATOM 1073 O TYR A 67 5.086 -6.230 3.220 1.00 60.22 O ATOM 1074 CB TYR A 67 4.870 -7.410 6.233 1.00 32.43 C ATOM 1075 CG TYR A 67 4.442 -8.515 7.222 1.00 33.11 C ATOM 1076 CD1 TYR A 67 4.596 -8.348 8.606 1.00 33.51 C ATOM 1077 CD2 TYR A 67 3.898 -9.726 6.777 1.00 55.35 C ATOM 1078 CE1 TYR A 67 4.216 -9.331 9.497 1.00 50.40 C ATOM 1079 CE2 TYR A 67 3.516 -10.708 7.673 1.00 50.04 C ATOM 1080 CZ TYR A 67 3.685 -10.509 9.026 1.00 32.53 C ATOM 1081 OH TYR A 67 3.311 -11.493 9.911 1.00 52.41 O ATOM 0 H TYR A 67 6.945 -8.789 6.167 1.00 10.30 H new ATOM 0 HA TYR A 67 4.797 -8.516 4.368 1.00 51.12 H new ATOM 0 HB2 TYR A 67 5.577 -6.752 6.737 1.00 32.43 H new ATOM 0 HB3 TYR A 67 3.994 -6.809 5.988 1.00 32.43 H new ATOM 0 HD1 TYR A 67 5.021 -7.430 8.983 1.00 33.51 H new ATOM 0 HD2 TYR A 67 3.775 -9.896 5.718 1.00 55.35 H new ATOM 0 HE1 TYR A 67 4.335 -9.176 10.559 1.00 50.40 H new ATOM 0 HE2 TYR A 67 3.085 -11.630 7.312 1.00 50.04 H new ATOM 0 HH TYR A 67 2.954 -12.260 9.416 1.00 52.41 H new ATOM 1091 N ILE A 68 7.112 -6.175 4.250 1.00 75.23 N ATOM 1092 CA ILE A 68 7.681 -5.017 3.537 1.00 53.44 C ATOM 1093 C ILE A 68 7.943 -5.371 2.063 1.00 35.32 C ATOM 1094 O ILE A 68 7.564 -4.613 1.169 1.00 71.24 O ATOM 1095 CB ILE A 68 9.002 -4.514 4.269 1.00 21.23 C ATOM 1096 CG1 ILE A 68 8.623 -3.694 5.554 1.00 2.24 C ATOM 1097 CG2 ILE A 68 9.947 -3.710 3.337 1.00 4.32 C ATOM 1098 CD1 ILE A 68 9.794 -3.176 6.375 1.00 23.51 C ATOM 0 H ILE A 68 7.754 -6.572 4.936 1.00 75.23 H new ATOM 0 HA ILE A 68 6.962 -4.198 3.554 1.00 53.44 H new ATOM 0 HB ILE A 68 9.566 -5.398 4.565 1.00 21.23 H new ATOM 0 HG12 ILE A 68 8.010 -2.844 5.253 1.00 2.24 H new ATOM 0 HG13 ILE A 68 8.004 -4.322 6.194 1.00 2.24 H new ATOM 0 HG21 ILE A 68 10.828 -3.396 3.896 1.00 4.32 H new ATOM 0 HG22 ILE A 68 10.253 -4.338 2.500 1.00 4.32 H new ATOM 0 HG23 ILE A 68 9.424 -2.831 2.960 1.00 4.32 H new ATOM 0 HD11 ILE A 68 9.418 -2.625 7.237 1.00 23.51 H new ATOM 0 HD12 ILE A 68 10.399 -4.016 6.716 1.00 23.51 H new ATOM 0 HD13 ILE A 68 10.405 -2.515 5.760 1.00 23.51 H new ATOM 1110 N LYS A 69 8.568 -6.540 1.825 1.00 14.32 N ATOM 1111 CA LYS A 69 8.838 -7.046 0.461 1.00 73.31 C ATOM 1112 C LYS A 69 7.519 -7.259 -0.303 1.00 70.22 C ATOM 1113 O LYS A 69 7.374 -6.809 -1.462 1.00 25.33 O ATOM 1114 CB LYS A 69 9.648 -8.373 0.529 1.00 42.25 C ATOM 1115 CG LYS A 69 11.107 -8.208 1.020 1.00 14.52 C ATOM 1116 CD LYS A 69 12.009 -7.461 0.010 1.00 4.43 C ATOM 1117 CE LYS A 69 12.231 -8.270 -1.281 1.00 63.03 C ATOM 1118 NZ LYS A 69 13.011 -7.507 -2.287 1.00 23.44 N ATOM 0 H LYS A 69 8.899 -7.158 2.566 1.00 14.32 H new ATOM 0 HA LYS A 69 9.431 -6.305 -0.075 1.00 73.31 H new ATOM 0 HB2 LYS A 69 9.131 -9.066 1.192 1.00 42.25 H new ATOM 0 HB3 LYS A 69 9.660 -8.828 -0.461 1.00 42.25 H new ATOM 0 HG2 LYS A 69 11.106 -7.667 1.966 1.00 14.52 H new ATOM 0 HG3 LYS A 69 11.531 -9.193 1.217 1.00 14.52 H new ATOM 0 HD2 LYS A 69 11.556 -6.501 -0.238 1.00 4.43 H new ATOM 0 HD3 LYS A 69 12.972 -7.249 0.474 1.00 4.43 H new ATOM 0 HE2 LYS A 69 12.754 -9.196 -1.043 1.00 63.03 H new ATOM 0 HE3 LYS A 69 11.266 -8.548 -1.705 1.00 63.03 H new ATOM 0 HZ1 LYS A 69 13.138 -8.087 -3.141 1.00 23.44 H new ATOM 0 HZ2 LYS A 69 12.500 -6.635 -2.534 1.00 23.44 H new ATOM 0 HZ3 LYS A 69 13.942 -7.263 -1.892 1.00 23.44 H new ATOM 1132 N GLN A 70 6.554 -7.908 0.394 1.00 2.10 N ATOM 1133 CA GLN A 70 5.213 -8.179 -0.139 1.00 23.53 C ATOM 1134 C GLN A 70 4.541 -6.874 -0.569 1.00 15.14 C ATOM 1135 O GLN A 70 4.268 -6.680 -1.747 1.00 23.42 O ATOM 1136 CB GLN A 70 4.318 -8.902 0.917 1.00 54.21 C ATOM 1137 CG GLN A 70 4.747 -10.342 1.282 1.00 34.50 C ATOM 1138 CD GLN A 70 4.480 -11.393 0.190 1.00 23.34 C ATOM 1139 OE1 GLN A 70 4.474 -11.103 -1.006 1.00 31.22 O ATOM 1140 NE2 GLN A 70 4.284 -12.638 0.594 1.00 14.43 N ATOM 0 H GLN A 70 6.693 -8.255 1.343 1.00 2.10 H new ATOM 0 HA GLN A 70 5.326 -8.834 -1.003 1.00 23.53 H new ATOM 0 HB2 GLN A 70 4.306 -8.304 1.828 1.00 54.21 H new ATOM 0 HB3 GLN A 70 3.295 -8.931 0.541 1.00 54.21 H new ATOM 0 HG2 GLN A 70 5.812 -10.341 1.512 1.00 34.50 H new ATOM 0 HG3 GLN A 70 4.225 -10.642 2.190 1.00 34.50 H new ATOM 0 HE21 GLN A 70 4.293 -12.858 1.590 1.00 14.43 H new ATOM 0 HE22 GLN A 70 4.124 -13.377 -0.091 1.00 14.43 H new ATOM 1149 N THR A 71 4.367 -5.953 0.394 1.00 63.11 N ATOM 1150 CA THR A 71 3.545 -4.762 0.188 1.00 5.35 C ATOM 1151 C THR A 71 4.175 -3.787 -0.808 1.00 31.41 C ATOM 1152 O THR A 71 3.456 -3.200 -1.597 1.00 44.24 O ATOM 1153 CB THR A 71 3.187 -4.014 1.510 1.00 74.23 C ATOM 1154 OG1 THR A 71 2.165 -3.051 1.222 1.00 71.13 O ATOM 1155 CG2 THR A 71 4.382 -3.300 2.173 1.00 24.54 C ATOM 0 H THR A 71 4.787 -6.016 1.321 1.00 63.11 H new ATOM 0 HA THR A 71 2.613 -5.140 -0.233 1.00 5.35 H new ATOM 0 HB THR A 71 2.851 -4.769 2.221 1.00 74.23 H new ATOM 0 HG1 THR A 71 1.791 -3.226 0.333 1.00 71.13 H new ATOM 0 HG21 THR A 71 4.049 -2.805 3.085 1.00 24.54 H new ATOM 0 HG22 THR A 71 5.153 -4.031 2.417 1.00 24.54 H new ATOM 0 HG23 THR A 71 4.790 -2.559 1.486 1.00 24.54 H new ATOM 1163 N LEU A 72 5.512 -3.633 -0.769 1.00 33.34 N ATOM 1164 CA LEU A 72 6.234 -2.742 -1.694 1.00 55.23 C ATOM 1165 C LEU A 72 6.171 -3.255 -3.135 1.00 61.43 C ATOM 1166 O LEU A 72 5.989 -2.456 -4.049 1.00 62.11 O ATOM 1167 CB LEU A 72 7.711 -2.527 -1.246 1.00 20.55 C ATOM 1168 CG LEU A 72 7.905 -1.538 -0.053 1.00 61.43 C ATOM 1169 CD1 LEU A 72 9.384 -1.450 0.380 1.00 44.13 C ATOM 1170 CD2 LEU A 72 7.336 -0.141 -0.405 1.00 61.33 C ATOM 0 H LEU A 72 6.115 -4.117 -0.104 1.00 33.34 H new ATOM 0 HA LEU A 72 5.732 -1.775 -1.663 1.00 55.23 H new ATOM 0 HB2 LEU A 72 8.135 -3.493 -0.970 1.00 20.55 H new ATOM 0 HB3 LEU A 72 8.283 -2.160 -2.098 1.00 20.55 H new ATOM 0 HG LEU A 72 7.346 -1.928 0.798 1.00 61.43 H new ATOM 0 HD11 LEU A 72 9.479 -0.752 1.212 1.00 44.13 H new ATOM 0 HD12 LEU A 72 9.731 -2.435 0.691 1.00 44.13 H new ATOM 0 HD13 LEU A 72 9.988 -1.100 -0.457 1.00 44.13 H new ATOM 0 HD21 LEU A 72 7.481 0.534 0.439 1.00 61.33 H new ATOM 0 HD22 LEU A 72 7.855 0.254 -1.279 1.00 61.33 H new ATOM 0 HD23 LEU A 72 6.271 -0.226 -0.623 1.00 61.33 H new ATOM 1182 N ASP A 73 6.315 -4.582 -3.335 1.00 71.42 N ATOM 1183 CA ASP A 73 6.274 -5.164 -4.699 1.00 42.51 C ATOM 1184 C ASP A 73 4.830 -5.174 -5.265 1.00 74.43 C ATOM 1185 O ASP A 73 4.611 -4.866 -6.454 1.00 53.22 O ATOM 1186 CB ASP A 73 6.885 -6.585 -4.718 1.00 74.34 C ATOM 1187 CG ASP A 73 6.977 -7.162 -6.141 1.00 25.42 C ATOM 1188 OD1 ASP A 73 7.647 -6.547 -7.000 1.00 71.33 O ATOM 1189 OD2 ASP A 73 6.399 -8.229 -6.410 1.00 14.12 O ATOM 0 H ASP A 73 6.458 -5.261 -2.588 1.00 71.42 H new ATOM 0 HA ASP A 73 6.880 -4.529 -5.345 1.00 42.51 H new ATOM 0 HB2 ASP A 73 7.881 -6.556 -4.275 1.00 74.34 H new ATOM 0 HB3 ASP A 73 6.280 -7.247 -4.098 1.00 74.34 H new ATOM 1194 N ASN A 74 3.858 -5.496 -4.385 1.00 61.04 N ATOM 1195 CA ASN A 74 2.412 -5.458 -4.700 1.00 61.25 C ATOM 1196 C ASN A 74 1.994 -4.041 -5.118 1.00 2.43 C ATOM 1197 O ASN A 74 1.335 -3.850 -6.141 1.00 21.34 O ATOM 1198 CB ASN A 74 1.554 -5.893 -3.476 1.00 31.54 C ATOM 1199 CG ASN A 74 1.677 -7.373 -3.085 1.00 30.44 C ATOM 1200 OD1 ASN A 74 1.902 -8.243 -3.923 1.00 3.53 O ATOM 1201 ND2 ASN A 74 1.516 -7.673 -1.797 1.00 63.22 N ATOM 0 H ASN A 74 4.055 -5.792 -3.429 1.00 61.04 H new ATOM 0 HA ASN A 74 2.239 -6.155 -5.520 1.00 61.25 H new ATOM 0 HB2 ASN A 74 1.837 -5.282 -2.619 1.00 31.54 H new ATOM 0 HB3 ASN A 74 0.508 -5.676 -3.690 1.00 31.54 H new ATOM 0 HD21 ASN A 74 1.579 -8.643 -1.488 1.00 63.22 H new ATOM 0 HD22 ASN A 74 1.330 -6.933 -1.120 1.00 63.22 H new ATOM 1208 N GLU A 75 2.422 -3.065 -4.301 1.00 52.34 N ATOM 1209 CA GLU A 75 2.137 -1.635 -4.481 1.00 61.14 C ATOM 1210 C GLU A 75 2.869 -1.077 -5.707 1.00 21.10 C ATOM 1211 O GLU A 75 2.365 -0.177 -6.359 1.00 44.43 O ATOM 1212 CB GLU A 75 2.553 -0.859 -3.212 1.00 75.21 C ATOM 1213 CG GLU A 75 2.371 0.658 -3.299 1.00 54.45 C ATOM 1214 CD GLU A 75 2.838 1.390 -2.043 1.00 2.32 C ATOM 1215 OE1 GLU A 75 4.032 1.767 -1.982 1.00 34.04 O ATOM 1216 OE2 GLU A 75 2.009 1.586 -1.121 1.00 33.13 O ATOM 0 H GLU A 75 2.991 -3.255 -3.476 1.00 52.34 H new ATOM 0 HA GLU A 75 1.066 -1.513 -4.645 1.00 61.14 H new ATOM 0 HB2 GLU A 75 1.973 -1.233 -2.368 1.00 75.21 H new ATOM 0 HB3 GLU A 75 3.600 -1.074 -2.999 1.00 75.21 H new ATOM 0 HG2 GLU A 75 2.924 1.036 -4.159 1.00 54.45 H new ATOM 0 HG3 GLU A 75 1.319 0.882 -3.473 1.00 54.45 H new ATOM 1223 N GLN A 76 4.058 -1.626 -5.996 1.00 53.24 N ATOM 1224 CA GLN A 76 4.871 -1.240 -7.170 1.00 43.32 C ATOM 1225 C GLN A 76 4.115 -1.580 -8.464 1.00 41.34 C ATOM 1226 O GLN A 76 3.986 -0.740 -9.370 1.00 74.11 O ATOM 1227 CB GLN A 76 6.233 -1.979 -7.132 1.00 1.55 C ATOM 1228 CG GLN A 76 7.145 -1.725 -8.343 1.00 44.12 C ATOM 1229 CD GLN A 76 8.435 -2.554 -8.350 1.00 75.43 C ATOM 1230 OE1 GLN A 76 8.384 -3.783 -7.838 1.00 2.41 O flip ATOM 1231 NE2 GLN A 76 9.466 -2.101 -8.847 1.00 32.12 N flip ATOM 0 H GLN A 76 4.488 -2.352 -5.424 1.00 53.24 H new ATOM 0 HA GLN A 76 5.053 -0.166 -7.143 1.00 43.32 H new ATOM 0 HB2 GLN A 76 6.765 -1.683 -6.228 1.00 1.55 H new ATOM 0 HB3 GLN A 76 6.046 -3.050 -7.056 1.00 1.55 H new ATOM 0 HG2 GLN A 76 6.586 -1.938 -9.254 1.00 44.12 H new ATOM 0 HG3 GLN A 76 7.407 -0.667 -8.369 1.00 44.12 H new ATOM 0 HE21 GLN A 76 9.475 -1.156 -9.231 1.00 32.12 H new ATOM 0 HE22 GLN A 76 10.312 -2.670 -8.875 1.00 32.12 H new ATOM 1240 N LEU A 77 3.598 -2.821 -8.516 1.00 13.20 N ATOM 1241 CA LEU A 77 2.791 -3.301 -9.654 1.00 22.21 C ATOM 1242 C LEU A 77 1.445 -2.546 -9.729 1.00 5.42 C ATOM 1243 O LEU A 77 0.984 -2.220 -10.819 1.00 23.02 O ATOM 1244 CB LEU A 77 2.570 -4.826 -9.546 1.00 75.12 C ATOM 1245 CG LEU A 77 3.833 -5.731 -9.692 1.00 33.33 C ATOM 1246 CD1 LEU A 77 3.488 -7.212 -9.419 1.00 30.33 C ATOM 1247 CD2 LEU A 77 4.475 -5.560 -11.085 1.00 33.13 C ATOM 0 H LEU A 77 3.726 -3.514 -7.778 1.00 13.20 H new ATOM 0 HA LEU A 77 3.335 -3.099 -10.577 1.00 22.21 H new ATOM 0 HB2 LEU A 77 2.112 -5.035 -8.579 1.00 75.12 H new ATOM 0 HB3 LEU A 77 1.851 -5.120 -10.310 1.00 75.12 H new ATOM 0 HG LEU A 77 4.561 -5.415 -8.945 1.00 33.33 H new ATOM 0 HD11 LEU A 77 4.386 -7.821 -9.527 1.00 30.33 H new ATOM 0 HD12 LEU A 77 3.100 -7.314 -8.405 1.00 30.33 H new ATOM 0 HD13 LEU A 77 2.734 -7.547 -10.131 1.00 30.33 H new ATOM 0 HD21 LEU A 77 5.353 -6.201 -11.162 1.00 33.13 H new ATOM 0 HD22 LEU A 77 3.754 -5.838 -11.854 1.00 33.13 H new ATOM 0 HD23 LEU A 77 4.771 -4.520 -11.224 1.00 33.13 H new ATOM 1259 N LEU A 78 0.838 -2.271 -8.551 1.00 63.23 N ATOM 1260 CA LEU A 78 -0.370 -1.408 -8.418 1.00 63.32 C ATOM 1261 C LEU A 78 -0.112 -0.004 -8.988 1.00 50.42 C ATOM 1262 O LEU A 78 -0.929 0.528 -9.726 1.00 22.52 O ATOM 1263 CB LEU A 78 -0.804 -1.284 -6.915 1.00 65.54 C ATOM 1264 CG LEU A 78 -1.642 -2.465 -6.340 1.00 4.33 C ATOM 1265 CD1 LEU A 78 -1.744 -2.405 -4.794 1.00 55.33 C ATOM 1266 CD2 LEU A 78 -3.039 -2.482 -6.992 1.00 50.14 C ATOM 0 H LEU A 78 1.170 -2.640 -7.660 1.00 63.23 H new ATOM 0 HA LEU A 78 -1.171 -1.880 -8.986 1.00 63.32 H new ATOM 0 HB2 LEU A 78 0.094 -1.174 -6.307 1.00 65.54 H new ATOM 0 HB3 LEU A 78 -1.381 -0.367 -6.800 1.00 65.54 H new ATOM 0 HG LEU A 78 -1.128 -3.395 -6.583 1.00 4.33 H new ATOM 0 HD11 LEU A 78 -2.337 -3.247 -4.436 1.00 55.33 H new ATOM 0 HD12 LEU A 78 -0.745 -2.454 -4.361 1.00 55.33 H new ATOM 0 HD13 LEU A 78 -2.222 -1.472 -4.497 1.00 55.33 H new ATOM 0 HD21 LEU A 78 -3.620 -3.310 -6.586 1.00 50.14 H new ATOM 0 HD22 LEU A 78 -3.550 -1.542 -6.782 1.00 50.14 H new ATOM 0 HD23 LEU A 78 -2.936 -2.606 -8.070 1.00 50.14 H new ATOM 1278 N LYS A 79 1.059 0.546 -8.652 1.00 23.44 N ATOM 1279 CA LYS A 79 1.440 1.930 -8.965 1.00 32.02 C ATOM 1280 C LYS A 79 1.559 2.076 -10.486 1.00 13.43 C ATOM 1281 O LYS A 79 0.908 2.934 -11.069 1.00 34.21 O ATOM 1282 CB LYS A 79 2.782 2.283 -8.236 1.00 71.43 C ATOM 1283 CG LYS A 79 3.076 3.790 -7.997 1.00 42.20 C ATOM 1284 CD LYS A 79 3.527 4.564 -9.260 1.00 62.21 C ATOM 1285 CE LYS A 79 4.119 5.937 -8.911 1.00 75.20 C ATOM 1286 NZ LYS A 79 5.306 5.815 -8.021 1.00 43.20 N ATOM 0 H LYS A 79 1.782 0.035 -8.146 1.00 23.44 H new ATOM 0 HA LYS A 79 0.682 2.629 -8.612 1.00 32.02 H new ATOM 0 HB2 LYS A 79 2.786 1.779 -7.270 1.00 71.43 H new ATOM 0 HB3 LYS A 79 3.604 1.865 -8.817 1.00 71.43 H new ATOM 0 HG2 LYS A 79 2.179 4.263 -7.597 1.00 42.20 H new ATOM 0 HG3 LYS A 79 3.850 3.880 -7.235 1.00 42.20 H new ATOM 0 HD2 LYS A 79 4.269 3.976 -9.800 1.00 62.21 H new ATOM 0 HD3 LYS A 79 2.676 4.695 -9.928 1.00 62.21 H new ATOM 0 HE2 LYS A 79 4.403 6.454 -9.827 1.00 75.20 H new ATOM 0 HE3 LYS A 79 3.359 6.547 -8.423 1.00 75.20 H new ATOM 0 HZ1 LYS A 79 5.768 6.742 -7.930 1.00 43.20 H new ATOM 0 HZ2 LYS A 79 5.004 5.485 -7.082 1.00 43.20 H new ATOM 0 HZ3 LYS A 79 5.976 5.132 -8.428 1.00 43.20 H new ATOM 1300 N GLY A 80 2.359 1.176 -11.105 1.00 11.12 N ATOM 1301 CA GLY A 80 2.589 1.185 -12.555 1.00 42.31 C ATOM 1302 C GLY A 80 1.330 0.897 -13.373 1.00 64.43 C ATOM 1303 O GLY A 80 1.058 1.592 -14.361 1.00 0.33 O ATOM 0 H GLY A 80 2.855 0.433 -10.612 1.00 11.12 H new ATOM 0 HA2 GLY A 80 2.987 2.157 -12.846 1.00 42.31 H new ATOM 0 HA3 GLY A 80 3.349 0.443 -12.799 1.00 42.31 H new ATOM 1307 N LEU A 81 0.556 -0.123 -12.940 1.00 54.44 N ATOM 1308 CA LEU A 81 -0.684 -0.562 -13.620 1.00 21.11 C ATOM 1309 C LEU A 81 -1.713 0.578 -13.623 1.00 40.20 C ATOM 1310 O LEU A 81 -2.164 1.016 -14.686 1.00 60.23 O ATOM 1311 CB LEU A 81 -1.233 -1.852 -12.922 1.00 63.04 C ATOM 1312 CG LEU A 81 -2.530 -2.538 -13.516 1.00 12.11 C ATOM 1313 CD1 LEU A 81 -2.539 -4.061 -13.234 1.00 64.33 C ATOM 1314 CD2 LEU A 81 -3.835 -1.902 -12.968 1.00 71.42 C ATOM 0 H LEU A 81 0.774 -0.667 -12.106 1.00 54.44 H new ATOM 0 HA LEU A 81 -0.473 -0.810 -14.660 1.00 21.11 H new ATOM 0 HB2 LEU A 81 -0.435 -2.595 -12.923 1.00 63.04 H new ATOM 0 HB3 LEU A 81 -1.437 -1.604 -11.880 1.00 63.04 H new ATOM 0 HG LEU A 81 -2.498 -2.372 -14.593 1.00 12.11 H new ATOM 0 HD11 LEU A 81 -3.442 -4.504 -13.654 1.00 64.33 H new ATOM 0 HD12 LEU A 81 -1.663 -4.521 -13.691 1.00 64.33 H new ATOM 0 HD13 LEU A 81 -2.518 -4.232 -12.158 1.00 64.33 H new ATOM 0 HD21 LEU A 81 -4.697 -2.406 -13.405 1.00 71.42 H new ATOM 0 HD22 LEU A 81 -3.864 -2.008 -11.884 1.00 71.42 H new ATOM 0 HD23 LEU A 81 -3.862 -0.844 -13.230 1.00 71.42 H new ATOM 1326 N LEU A 82 -2.033 1.070 -12.414 1.00 23.15 N ATOM 1327 CA LEU A 82 -3.036 2.130 -12.194 1.00 42.14 C ATOM 1328 C LEU A 82 -2.578 3.478 -12.761 1.00 54.13 C ATOM 1329 O LEU A 82 -3.414 4.319 -13.086 1.00 42.54 O ATOM 1330 CB LEU A 82 -3.356 2.234 -10.680 1.00 13.10 C ATOM 1331 CG LEU A 82 -4.215 1.058 -10.103 1.00 15.35 C ATOM 1332 CD1 LEU A 82 -4.039 0.910 -8.581 1.00 15.21 C ATOM 1333 CD2 LEU A 82 -5.696 1.255 -10.461 1.00 1.13 C ATOM 0 H LEU A 82 -1.599 0.740 -11.552 1.00 23.15 H new ATOM 0 HA LEU A 82 -3.945 1.861 -12.732 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -2.417 2.283 -10.128 1.00 13.10 H new ATOM 0 HB3 LEU A 82 -3.882 3.171 -10.499 1.00 13.10 H new ATOM 0 HG LEU A 82 -3.860 0.134 -10.560 1.00 15.35 H new ATOM 0 HD11 LEU A 82 -4.652 0.083 -8.223 1.00 15.21 H new ATOM 0 HD12 LEU A 82 -2.992 0.710 -8.354 1.00 15.21 H new ATOM 0 HD13 LEU A 82 -4.348 1.831 -8.088 1.00 15.21 H new ATOM 0 HD21 LEU A 82 -6.282 0.431 -10.054 1.00 1.13 H new ATOM 0 HD22 LEU A 82 -6.050 2.195 -10.039 1.00 1.13 H new ATOM 0 HD23 LEU A 82 -5.808 1.279 -11.545 1.00 1.13 H new ATOM 1345 N GLN A 83 -1.253 3.675 -12.879 1.00 34.40 N ATOM 1346 CA GLN A 83 -0.689 4.874 -13.521 1.00 42.32 C ATOM 1347 C GLN A 83 -0.998 4.870 -15.028 1.00 43.30 C ATOM 1348 O GLN A 83 -1.572 5.832 -15.552 1.00 35.22 O ATOM 1349 CB GLN A 83 0.845 4.964 -13.276 1.00 1.04 C ATOM 1350 CG GLN A 83 1.529 6.164 -13.954 1.00 42.41 C ATOM 1351 CD GLN A 83 0.907 7.511 -13.569 1.00 60.31 C ATOM 1352 OE1 GLN A 83 0.798 8.394 -14.528 1.00 33.14 O flip ATOM 1353 NE2 GLN A 83 0.464 7.720 -12.443 1.00 43.23 N flip ATOM 0 H GLN A 83 -0.552 3.017 -12.537 1.00 34.40 H new ATOM 0 HA GLN A 83 -1.154 5.753 -13.074 1.00 42.32 H new ATOM 0 HB2 GLN A 83 1.026 5.017 -12.203 1.00 1.04 H new ATOM 0 HB3 GLN A 83 1.312 4.046 -13.633 1.00 1.04 H new ATOM 0 HG2 GLN A 83 2.586 6.170 -13.687 1.00 42.41 H new ATOM 0 HG3 GLN A 83 1.474 6.042 -15.036 1.00 42.41 H new ATOM 0 HE21 GLN A 83 0.564 7.012 -11.716 1.00 43.23 H new ATOM 0 HE22 GLN A 83 -0.004 8.602 -12.235 1.00 43.23 H new ATOM 1362 N GLN A 84 -0.617 3.766 -15.701 1.00 43.21 N ATOM 1363 CA GLN A 84 -0.896 3.553 -17.139 1.00 34.51 C ATOM 1364 C GLN A 84 -2.413 3.465 -17.414 1.00 43.45 C ATOM 1365 O GLN A 84 -2.868 3.820 -18.498 1.00 61.45 O ATOM 1366 CB GLN A 84 -0.175 2.278 -17.653 1.00 23.31 C ATOM 1367 CG GLN A 84 1.370 2.325 -17.537 1.00 45.33 C ATOM 1368 CD GLN A 84 2.096 1.099 -18.116 1.00 31.13 C ATOM 1369 OE1 GLN A 84 3.137 0.690 -17.604 1.00 40.21 O ATOM 1370 NE2 GLN A 84 1.591 0.532 -19.209 1.00 52.12 N ATOM 0 H GLN A 84 -0.108 2.997 -15.266 1.00 43.21 H new ATOM 0 HA GLN A 84 -0.509 4.415 -17.682 1.00 34.51 H new ATOM 0 HB2 GLN A 84 -0.543 1.417 -17.095 1.00 23.31 H new ATOM 0 HB3 GLN A 84 -0.444 2.119 -18.697 1.00 23.31 H new ATOM 0 HG2 GLN A 84 1.732 3.218 -18.046 1.00 45.33 H new ATOM 0 HG3 GLN A 84 1.639 2.426 -16.486 1.00 45.33 H new ATOM 0 HE21 GLN A 84 0.726 0.889 -19.616 1.00 52.12 H new ATOM 0 HE22 GLN A 84 2.069 -0.259 -19.640 1.00 52.12 H new ATOM 1379 N ARG A 85 -3.183 3.043 -16.396 1.00 22.01 N ATOM 1380 CA ARG A 85 -4.639 2.841 -16.508 1.00 34.33 C ATOM 1381 C ARG A 85 -5.338 4.214 -16.518 1.00 72.24 C ATOM 1382 O ARG A 85 -6.143 4.504 -17.411 1.00 23.54 O ATOM 1383 CB ARG A 85 -5.135 1.921 -15.341 1.00 41.13 C ATOM 1384 CG ARG A 85 -6.517 1.245 -15.554 1.00 1.53 C ATOM 1385 CD ARG A 85 -7.717 2.135 -15.186 1.00 53.42 C ATOM 1386 NE ARG A 85 -8.995 1.511 -15.570 1.00 73.11 N ATOM 1387 CZ ARG A 85 -10.165 1.658 -14.931 1.00 45.53 C ATOM 1388 NH1 ARG A 85 -10.264 2.416 -13.841 1.00 72.21 N ATOM 1389 NH2 ARG A 85 -11.239 1.047 -15.399 1.00 73.34 N ATOM 0 H ARG A 85 -2.812 2.832 -15.469 1.00 22.01 H new ATOM 0 HA ARG A 85 -4.888 2.336 -17.441 1.00 34.33 H new ATOM 0 HB2 ARG A 85 -4.391 1.141 -15.177 1.00 41.13 H new ATOM 0 HB3 ARG A 85 -5.179 2.516 -14.429 1.00 41.13 H new ATOM 0 HG2 ARG A 85 -6.606 0.947 -16.599 1.00 1.53 H new ATOM 0 HG3 ARG A 85 -6.559 0.333 -14.958 1.00 1.53 H new ATOM 0 HD2 ARG A 85 -7.713 2.326 -14.113 1.00 53.42 H new ATOM 0 HD3 ARG A 85 -7.620 3.101 -15.682 1.00 53.42 H new ATOM 0 HE ARG A 85 -8.990 0.913 -16.396 1.00 73.11 H new ATOM 0 HH11 ARG A 85 -9.441 2.897 -13.478 1.00 72.21 H new ATOM 0 HH12 ARG A 85 -11.163 2.515 -13.369 1.00 72.21 H new ATOM 0 HH21 ARG A 85 -11.173 0.471 -16.238 1.00 73.34 H new ATOM 0 HH22 ARG A 85 -12.134 1.152 -14.921 1.00 73.34 H new ATOM 1403 N LEU A 86 -4.983 5.064 -15.531 1.00 63.10 N ATOM 1404 CA LEU A 86 -5.489 6.455 -15.432 1.00 74.41 C ATOM 1405 C LEU A 86 -4.975 7.316 -16.602 1.00 4.35 C ATOM 1406 O LEU A 86 -5.633 8.280 -16.992 1.00 64.11 O ATOM 1407 CB LEU A 86 -5.086 7.095 -14.073 1.00 32.10 C ATOM 1408 CG LEU A 86 -5.730 6.460 -12.795 1.00 21.41 C ATOM 1409 CD1 LEU A 86 -5.122 7.057 -11.506 1.00 35.13 C ATOM 1410 CD2 LEU A 86 -7.272 6.595 -12.807 1.00 45.42 C ATOM 0 H LEU A 86 -4.340 4.809 -14.781 1.00 63.10 H new ATOM 0 HA LEU A 86 -6.577 6.417 -15.488 1.00 74.41 H new ATOM 0 HB2 LEU A 86 -4.002 7.038 -13.975 1.00 32.10 H new ATOM 0 HB3 LEU A 86 -5.349 8.152 -14.100 1.00 32.10 H new ATOM 0 HG LEU A 86 -5.498 5.395 -12.807 1.00 21.41 H new ATOM 0 HD11 LEU A 86 -5.590 6.596 -10.636 1.00 35.13 H new ATOM 0 HD12 LEU A 86 -4.049 6.864 -11.486 1.00 35.13 H new ATOM 0 HD13 LEU A 86 -5.298 8.133 -11.485 1.00 35.13 H new ATOM 0 HD21 LEU A 86 -7.684 6.143 -11.905 1.00 45.42 H new ATOM 0 HD22 LEU A 86 -7.545 7.650 -12.841 1.00 45.42 H new ATOM 0 HD23 LEU A 86 -7.675 6.087 -13.683 1.00 45.42 H new ATOM 1422 N ASP A 87 -3.794 6.942 -17.138 1.00 60.15 N ATOM 1423 CA ASP A 87 -3.198 7.559 -18.341 1.00 70.24 C ATOM 1424 C ASP A 87 -4.131 7.359 -19.551 1.00 62.45 C ATOM 1425 O ASP A 87 -4.555 8.336 -20.196 1.00 52.33 O ATOM 1426 CB ASP A 87 -1.804 6.928 -18.616 1.00 32.44 C ATOM 1427 CG ASP A 87 -1.132 7.424 -19.908 1.00 13.43 C ATOM 1428 OD1 ASP A 87 -0.464 8.475 -19.879 1.00 72.34 O ATOM 1429 OD2 ASP A 87 -1.256 6.759 -20.962 1.00 2.21 O ATOM 0 H ASP A 87 -3.222 6.195 -16.743 1.00 60.15 H new ATOM 0 HA ASP A 87 -3.072 8.629 -18.175 1.00 70.24 H new ATOM 0 HB2 ASP A 87 -1.148 7.143 -17.773 1.00 32.44 H new ATOM 0 HB3 ASP A 87 -1.912 5.845 -18.668 1.00 32.44 H new ATOM 1434 N GLU A 88 -4.468 6.072 -19.811 1.00 62.11 N ATOM 1435 CA GLU A 88 -5.392 5.674 -20.889 1.00 63.51 C ATOM 1436 C GLU A 88 -6.730 6.409 -20.751 1.00 55.44 C ATOM 1437 O GLU A 88 -7.223 6.984 -21.720 1.00 74.04 O ATOM 1438 CB GLU A 88 -5.641 4.149 -20.864 1.00 53.23 C ATOM 1439 CG GLU A 88 -4.403 3.289 -21.151 1.00 14.45 C ATOM 1440 CD GLU A 88 -4.692 1.786 -21.037 1.00 5.23 C ATOM 1441 OE1 GLU A 88 -4.725 1.088 -22.075 1.00 11.42 O ATOM 1442 OE2 GLU A 88 -4.913 1.300 -19.906 1.00 13.00 O ATOM 0 H GLU A 88 -4.104 5.284 -19.276 1.00 62.11 H new ATOM 0 HA GLU A 88 -4.930 5.943 -21.839 1.00 63.51 H new ATOM 0 HB2 GLU A 88 -6.037 3.876 -19.886 1.00 53.23 H new ATOM 0 HB3 GLU A 88 -6.411 3.909 -21.598 1.00 53.23 H new ATOM 0 HG2 GLU A 88 -4.035 3.510 -22.153 1.00 14.45 H new ATOM 0 HG3 GLU A 88 -3.609 3.557 -20.454 1.00 14.45 H new ATOM 1449 N LEU A 89 -7.274 6.403 -19.515 1.00 33.04 N ATOM 1450 CA LEU A 89 -8.534 7.088 -19.173 1.00 53.11 C ATOM 1451 C LEU A 89 -8.471 8.589 -19.508 1.00 13.24 C ATOM 1452 O LEU A 89 -9.405 9.114 -20.092 1.00 40.00 O ATOM 1453 CB LEU A 89 -8.881 6.878 -17.675 1.00 11.41 C ATOM 1454 CG LEU A 89 -9.193 5.409 -17.251 1.00 74.41 C ATOM 1455 CD1 LEU A 89 -9.366 5.308 -15.725 1.00 75.43 C ATOM 1456 CD2 LEU A 89 -10.423 4.853 -18.008 1.00 60.44 C ATOM 0 H LEU A 89 -6.847 5.920 -18.724 1.00 33.04 H new ATOM 0 HA LEU A 89 -9.325 6.646 -19.780 1.00 53.11 H new ATOM 0 HB2 LEU A 89 -8.047 7.241 -17.074 1.00 11.41 H new ATOM 0 HB3 LEU A 89 -9.744 7.498 -17.431 1.00 11.41 H new ATOM 0 HG LEU A 89 -8.342 4.787 -17.529 1.00 74.41 H new ATOM 0 HD11 LEU A 89 -9.583 4.276 -15.451 1.00 75.43 H new ATOM 0 HD12 LEU A 89 -8.448 5.629 -15.233 1.00 75.43 H new ATOM 0 HD13 LEU A 89 -10.190 5.948 -15.409 1.00 75.43 H new ATOM 0 HD21 LEU A 89 -10.613 3.828 -17.690 1.00 60.44 H new ATOM 0 HD22 LEU A 89 -11.295 5.469 -17.788 1.00 60.44 H new ATOM 0 HD23 LEU A 89 -10.228 4.870 -19.080 1.00 60.44 H new ATOM 1468 N SER A 90 -7.345 9.249 -19.181 1.00 31.24 N ATOM 1469 CA SER A 90 -7.135 10.686 -19.489 1.00 21.32 C ATOM 1470 C SER A 90 -7.167 10.942 -21.013 1.00 74.40 C ATOM 1471 O SER A 90 -7.727 11.951 -21.471 1.00 71.30 O ATOM 1472 CB SER A 90 -5.802 11.176 -18.880 1.00 30.42 C ATOM 1473 OG SER A 90 -5.831 11.090 -17.462 1.00 1.43 O ATOM 0 H SER A 90 -6.559 8.812 -18.700 1.00 31.24 H new ATOM 0 HA SER A 90 -7.952 11.252 -19.041 1.00 21.32 H new ATOM 0 HB2 SER A 90 -4.978 10.577 -19.268 1.00 30.42 H new ATOM 0 HB3 SER A 90 -5.616 12.207 -19.182 1.00 30.42 H new ATOM 0 HG SER A 90 -5.769 10.151 -17.190 1.00 1.43 H new ATOM 1479 N SER A 91 -6.593 9.988 -21.780 1.00 44.43 N ATOM 1480 CA SER A 91 -6.618 10.013 -23.256 1.00 55.22 C ATOM 1481 C SER A 91 -8.061 9.854 -23.798 1.00 63.10 C ATOM 1482 O SER A 91 -8.428 10.495 -24.790 1.00 13.23 O ATOM 1483 CB SER A 91 -5.704 8.904 -23.826 1.00 21.43 C ATOM 1484 OG SER A 91 -5.632 8.957 -25.238 1.00 52.01 O ATOM 0 H SER A 91 -6.101 9.183 -21.393 1.00 44.43 H new ATOM 0 HA SER A 91 -6.243 10.983 -23.582 1.00 55.22 H new ATOM 0 HB2 SER A 91 -4.703 9.007 -23.407 1.00 21.43 H new ATOM 0 HB3 SER A 91 -6.080 7.929 -23.518 1.00 21.43 H new ATOM 0 HG SER A 91 -5.179 9.782 -25.512 1.00 52.01 H new ATOM 1490 N LEU A 92 -8.869 9.000 -23.128 1.00 4.24 N ATOM 1491 CA LEU A 92 -10.268 8.709 -23.537 1.00 73.14 C ATOM 1492 C LEU A 92 -11.182 9.923 -23.271 1.00 31.45 C ATOM 1493 O LEU A 92 -11.923 10.364 -24.157 1.00 44.25 O ATOM 1494 CB LEU A 92 -10.835 7.467 -22.774 1.00 73.33 C ATOM 1495 CG LEU A 92 -9.989 6.154 -22.817 1.00 62.31 C ATOM 1496 CD1 LEU A 92 -10.705 4.991 -22.095 1.00 10.13 C ATOM 1497 CD2 LEU A 92 -9.560 5.775 -24.252 1.00 70.11 C ATOM 0 H LEU A 92 -8.574 8.494 -22.293 1.00 4.24 H new ATOM 0 HA LEU A 92 -10.252 8.494 -24.605 1.00 73.14 H new ATOM 0 HB2 LEU A 92 -10.972 7.746 -21.729 1.00 73.33 H new ATOM 0 HB3 LEU A 92 -11.823 7.245 -23.177 1.00 73.33 H new ATOM 0 HG LEU A 92 -9.069 6.354 -22.268 1.00 62.31 H new ATOM 0 HD11 LEU A 92 -10.086 4.095 -22.146 1.00 10.13 H new ATOM 0 HD12 LEU A 92 -10.872 5.258 -21.051 1.00 10.13 H new ATOM 0 HD13 LEU A 92 -11.663 4.798 -22.578 1.00 10.13 H new ATOM 0 HD21 LEU A 92 -8.975 4.856 -24.226 1.00 70.11 H new ATOM 0 HD22 LEU A 92 -10.446 5.624 -24.869 1.00 70.11 H new ATOM 0 HD23 LEU A 92 -8.956 6.578 -24.675 1.00 70.11 H new ATOM 1509 N ILE A 93 -11.100 10.436 -22.031 1.00 72.42 N ATOM 1510 CA ILE A 93 -11.928 11.551 -21.523 1.00 42.01 C ATOM 1511 C ILE A 93 -11.642 12.838 -22.310 1.00 72.51 C ATOM 1512 O ILE A 93 -12.569 13.538 -22.740 1.00 52.21 O ATOM 1513 CB ILE A 93 -11.643 11.786 -19.985 1.00 61.45 C ATOM 1514 CG1 ILE A 93 -11.988 10.503 -19.153 1.00 41.12 C ATOM 1515 CG2 ILE A 93 -12.405 13.024 -19.434 1.00 50.22 C ATOM 1516 CD1 ILE A 93 -11.433 10.499 -17.735 1.00 2.35 C ATOM 0 H ILE A 93 -10.443 10.081 -21.336 1.00 72.42 H new ATOM 0 HA ILE A 93 -12.977 11.287 -21.655 1.00 42.01 H new ATOM 0 HB ILE A 93 -10.577 11.990 -19.881 1.00 61.45 H new ATOM 0 HG12 ILE A 93 -13.072 10.397 -19.105 1.00 41.12 H new ATOM 0 HG13 ILE A 93 -11.606 9.630 -19.681 1.00 41.12 H new ATOM 0 HG21 ILE A 93 -12.180 13.148 -18.375 1.00 50.22 H new ATOM 0 HG22 ILE A 93 -12.092 13.915 -19.978 1.00 50.22 H new ATOM 0 HG23 ILE A 93 -13.477 12.878 -19.563 1.00 50.22 H new ATOM 0 HD11 ILE A 93 -11.721 9.574 -17.234 1.00 2.35 H new ATOM 0 HD12 ILE A 93 -10.346 10.570 -17.770 1.00 2.35 H new ATOM 0 HD13 ILE A 93 -11.835 11.350 -17.185 1.00 2.35 H new ATOM 1528 N GLY A 94 -10.349 13.128 -22.493 1.00 32.15 N ATOM 1529 CA GLY A 94 -9.921 14.326 -23.194 1.00 11.34 C ATOM 1530 C GLY A 94 -8.496 14.670 -22.838 1.00 33.14 C ATOM 1531 O GLY A 94 -8.238 15.225 -21.759 1.00 40.52 O ATOM 0 H GLY A 94 -9.584 12.541 -22.161 1.00 32.15 H new ATOM 0 HA2 GLY A 94 -10.006 14.174 -24.270 1.00 11.34 H new ATOM 0 HA3 GLY A 94 -10.577 15.158 -22.937 1.00 11.34 H new ATOM 1535 N GLN A 95 -7.558 14.296 -23.715 1.00 35.34 N ATOM 1536 CA GLN A 95 -6.124 14.531 -23.507 1.00 22.21 C ATOM 1537 C GLN A 95 -5.744 16.004 -23.809 1.00 62.53 C ATOM 1538 O GLN A 95 -5.220 16.335 -24.884 1.00 45.11 O ATOM 1539 CB GLN A 95 -5.278 13.504 -24.329 1.00 71.13 C ATOM 1540 CG GLN A 95 -5.659 13.393 -25.826 1.00 61.15 C ATOM 1541 CD GLN A 95 -4.780 12.437 -26.634 1.00 65.23 C ATOM 1542 OE1 GLN A 95 -4.250 11.464 -26.112 1.00 34.12 O ATOM 1543 NE2 GLN A 95 -4.634 12.703 -27.921 1.00 5.21 N ATOM 0 H GLN A 95 -7.772 13.820 -24.592 1.00 35.34 H new ATOM 0 HA GLN A 95 -5.891 14.369 -22.455 1.00 22.21 H new ATOM 0 HB2 GLN A 95 -4.226 13.782 -24.257 1.00 71.13 H new ATOM 0 HB3 GLN A 95 -5.381 12.521 -23.869 1.00 71.13 H new ATOM 0 HG2 GLN A 95 -6.696 13.065 -25.901 1.00 61.15 H new ATOM 0 HG3 GLN A 95 -5.605 14.384 -26.276 1.00 61.15 H new ATOM 0 HE21 GLN A 95 -5.088 13.521 -28.327 1.00 5.21 H new ATOM 0 HE22 GLN A 95 -4.068 12.090 -28.507 1.00 5.21 H new ATOM 1552 N VAL A 96 -6.083 16.897 -22.863 1.00 61.45 N ATOM 1553 CA VAL A 96 -5.509 18.262 -22.797 1.00 34.02 C ATOM 1554 C VAL A 96 -4.014 18.130 -22.440 1.00 73.53 C ATOM 1555 O VAL A 96 -3.147 18.837 -22.968 1.00 12.41 O ATOM 1556 CB VAL A 96 -6.283 19.173 -21.760 1.00 53.13 C ATOM 1557 CG1 VAL A 96 -6.363 18.523 -20.359 1.00 4.11 C ATOM 1558 CG2 VAL A 96 -5.672 20.596 -21.696 1.00 25.15 C ATOM 0 H VAL A 96 -6.758 16.699 -22.124 1.00 61.45 H new ATOM 0 HA VAL A 96 -5.615 18.756 -23.763 1.00 34.02 H new ATOM 0 HB VAL A 96 -7.307 19.269 -22.120 1.00 53.13 H new ATOM 0 HG11 VAL A 96 -6.903 19.184 -19.681 1.00 4.11 H new ATOM 0 HG12 VAL A 96 -6.887 17.570 -20.430 1.00 4.11 H new ATOM 0 HG13 VAL A 96 -5.356 18.356 -19.977 1.00 4.11 H new ATOM 0 HG21 VAL A 96 -6.226 21.198 -20.975 1.00 25.15 H new ATOM 0 HG22 VAL A 96 -4.628 20.530 -21.389 1.00 25.15 H new ATOM 0 HG23 VAL A 96 -5.732 21.062 -22.679 1.00 25.15 H new ATOM 1568 N LEU A 97 -3.752 17.168 -21.544 1.00 4.51 N ATOM 1569 CA LEU A 97 -2.434 16.628 -21.248 1.00 22.34 C ATOM 1570 C LEU A 97 -2.548 15.101 -21.340 1.00 74.12 C ATOM 1571 O LEU A 97 -3.363 14.493 -20.627 1.00 14.23 O ATOM 1572 CB LEU A 97 -1.944 17.071 -19.840 1.00 52.42 C ATOM 1573 CG LEU A 97 -1.632 18.593 -19.675 1.00 44.43 C ATOM 1574 CD1 LEU A 97 -1.315 18.940 -18.206 1.00 43.24 C ATOM 1575 CD2 LEU A 97 -0.487 19.032 -20.625 1.00 15.35 C ATOM 0 H LEU A 97 -4.488 16.733 -20.988 1.00 4.51 H new ATOM 0 HA LEU A 97 -1.698 17.004 -21.958 1.00 22.34 H new ATOM 0 HB2 LEU A 97 -2.703 16.794 -19.108 1.00 52.42 H new ATOM 0 HB3 LEU A 97 -1.044 16.507 -19.595 1.00 52.42 H new ATOM 0 HG LEU A 97 -2.524 19.152 -19.956 1.00 44.43 H new ATOM 0 HD11 LEU A 97 -1.102 20.006 -18.122 1.00 43.24 H new ATOM 0 HD12 LEU A 97 -2.172 18.691 -17.580 1.00 43.24 H new ATOM 0 HD13 LEU A 97 -0.447 18.369 -17.877 1.00 43.24 H new ATOM 0 HD21 LEU A 97 -0.290 20.095 -20.490 1.00 15.35 H new ATOM 0 HD22 LEU A 97 0.414 18.464 -20.395 1.00 15.35 H new ATOM 0 HD23 LEU A 97 -0.780 18.846 -21.658 1.00 15.35 H new ATOM 1587 N PHE A 98 -1.789 14.514 -22.280 1.00 3.44 N ATOM 1588 CA PHE A 98 -1.649 13.055 -22.453 1.00 32.23 C ATOM 1589 C PHE A 98 -1.257 12.377 -21.120 1.00 52.11 C ATOM 1590 O PHE A 98 -1.746 11.292 -20.786 1.00 52.05 O ATOM 1591 CB PHE A 98 -0.604 12.758 -23.581 1.00 53.34 C ATOM 1592 CG PHE A 98 0.768 13.439 -23.393 1.00 61.42 C ATOM 1593 CD1 PHE A 98 1.831 12.785 -22.759 1.00 24.33 C ATOM 1594 CD2 PHE A 98 0.979 14.753 -23.829 1.00 73.43 C ATOM 1595 CE1 PHE A 98 3.043 13.420 -22.564 1.00 65.51 C ATOM 1596 CE2 PHE A 98 2.196 15.382 -23.637 1.00 4.33 C ATOM 1597 CZ PHE A 98 3.224 14.717 -23.003 1.00 14.34 C ATOM 0 H PHE A 98 -1.244 15.050 -22.956 1.00 3.44 H new ATOM 0 HA PHE A 98 -2.609 12.636 -22.754 1.00 32.23 H new ATOM 0 HB2 PHE A 98 -0.453 11.680 -23.641 1.00 53.34 H new ATOM 0 HB3 PHE A 98 -1.023 13.075 -24.536 1.00 53.34 H new ATOM 0 HD1 PHE A 98 1.702 11.769 -22.417 1.00 24.33 H new ATOM 0 HD2 PHE A 98 0.179 15.284 -24.323 1.00 73.43 H new ATOM 0 HE1 PHE A 98 3.850 12.901 -22.068 1.00 65.51 H new ATOM 0 HE2 PHE A 98 2.341 16.394 -23.984 1.00 4.33 H new ATOM 0 HZ PHE A 98 4.172 15.211 -22.849 1.00 14.34 H new ATOM 1607 N GLN A 99 -0.381 13.063 -20.374 1.00 4.14 N ATOM 1608 CA GLN A 99 0.062 12.656 -19.036 1.00 73.31 C ATOM 1609 C GLN A 99 0.641 13.886 -18.317 1.00 4.20 C ATOM 1610 O GLN A 99 1.242 14.761 -18.960 1.00 63.11 O ATOM 1611 CB GLN A 99 1.107 11.501 -19.124 1.00 64.11 C ATOM 1612 CG GLN A 99 1.586 10.939 -17.769 1.00 33.23 C ATOM 1613 CD GLN A 99 0.440 10.419 -16.895 1.00 12.21 C ATOM 1614 OE1 GLN A 99 -0.110 11.139 -16.063 1.00 23.31 O ATOM 1615 NE2 GLN A 99 0.056 9.173 -17.089 1.00 73.45 N ATOM 0 H GLN A 99 0.047 13.933 -20.691 1.00 4.14 H new ATOM 0 HA GLN A 99 -0.785 12.273 -18.466 1.00 73.31 H new ATOM 0 HB2 GLN A 99 0.675 10.686 -19.704 1.00 64.11 H new ATOM 0 HB3 GLN A 99 1.975 11.860 -19.677 1.00 64.11 H new ATOM 0 HG2 GLN A 99 2.294 10.130 -17.948 1.00 33.23 H new ATOM 0 HG3 GLN A 99 2.122 11.719 -17.228 1.00 33.23 H new ATOM 0 HE21 GLN A 99 0.528 8.596 -17.785 1.00 73.45 H new ATOM 0 HE22 GLN A 99 -0.714 8.786 -16.543 1.00 73.45 H new ATOM 1624 N GLY A 100 0.429 13.957 -16.996 1.00 2.33 N ATOM 1625 CA GLY A 100 0.925 15.051 -16.167 1.00 64.04 C ATOM 1626 C GLY A 100 0.473 14.905 -14.711 1.00 3.50 C ATOM 1627 O GLY A 100 -0.516 14.200 -14.455 1.00 65.40 O ATOM 0 H GLY A 100 -0.094 13.252 -16.476 1.00 2.33 H new ATOM 0 HA2 GLY A 100 2.014 15.076 -16.210 1.00 64.04 H new ATOM 0 HA3 GLY A 100 0.569 16.001 -16.566 1.00 64.04 H new ATOM 1631 N PRO A 101 1.179 15.537 -13.716 1.00 3.45 N ATOM 1632 CA PRO A 101 0.809 15.449 -12.284 1.00 11.25 C ATOM 1633 C PRO A 101 -0.500 16.221 -11.988 1.00 3.30 C ATOM 1634 O PRO A 101 -0.482 17.424 -11.700 1.00 4.34 O ATOM 1635 CB PRO A 101 2.044 16.054 -11.537 1.00 31.42 C ATOM 1636 CG PRO A 101 3.117 16.201 -12.585 1.00 71.42 C ATOM 1637 CD PRO A 101 2.387 16.383 -13.899 1.00 43.22 C ATOM 0 HA PRO A 101 0.600 14.429 -11.962 1.00 11.25 H new ATOM 0 HB2 PRO A 101 1.799 17.017 -11.089 1.00 31.42 H new ATOM 0 HB3 PRO A 101 2.372 15.401 -10.728 1.00 31.42 H new ATOM 0 HG2 PRO A 101 3.758 17.057 -12.372 1.00 71.42 H new ATOM 0 HG3 PRO A 101 3.760 15.321 -12.613 1.00 71.42 H new ATOM 0 HD2 PRO A 101 2.128 17.427 -14.078 1.00 43.22 H new ATOM 0 HD3 PRO A 101 2.988 16.054 -14.746 1.00 43.22 H new ATOM 1645 N SER A 102 -1.634 15.519 -12.113 1.00 13.43 N ATOM 1646 CA SER A 102 -2.979 16.099 -11.967 1.00 21.35 C ATOM 1647 C SER A 102 -3.843 15.213 -11.061 1.00 60.32 C ATOM 1648 O SER A 102 -3.738 13.980 -11.099 1.00 33.23 O ATOM 1649 CB SER A 102 -3.646 16.253 -13.360 1.00 74.34 C ATOM 1650 OG SER A 102 -4.965 16.782 -13.255 1.00 61.31 O ATOM 0 H SER A 102 -1.645 14.520 -12.321 1.00 13.43 H new ATOM 0 HA SER A 102 -2.889 17.084 -11.509 1.00 21.35 H new ATOM 0 HB2 SER A 102 -3.039 16.909 -13.984 1.00 74.34 H new ATOM 0 HB3 SER A 102 -3.681 15.283 -13.856 1.00 74.34 H new ATOM 0 HG SER A 102 -5.583 16.224 -13.771 1.00 61.31 H new ATOM 1656 N ALA A 103 -4.707 15.867 -10.267 1.00 60.41 N ATOM 1657 CA ALA A 103 -5.694 15.207 -9.387 1.00 64.34 C ATOM 1658 C ALA A 103 -6.856 14.584 -10.196 1.00 1.43 C ATOM 1659 O ALA A 103 -7.598 13.730 -9.687 1.00 54.10 O ATOM 1660 CB ALA A 103 -6.236 16.234 -8.377 1.00 70.14 C ATOM 0 H ALA A 103 -4.742 16.885 -10.216 1.00 60.41 H new ATOM 0 HA ALA A 103 -5.196 14.394 -8.859 1.00 64.34 H new ATOM 0 HB1 ALA A 103 -6.965 15.753 -7.725 1.00 70.14 H new ATOM 0 HB2 ALA A 103 -5.413 16.623 -7.777 1.00 70.14 H new ATOM 0 HB3 ALA A 103 -6.714 17.054 -8.913 1.00 70.14 H new ATOM 1666 N GLY A 104 -7.008 15.041 -11.452 1.00 71.41 N ATOM 1667 CA GLY A 104 -8.070 14.590 -12.345 1.00 54.41 C ATOM 1668 C GLY A 104 -8.445 15.698 -13.314 1.00 15.53 C ATOM 1669 O GLY A 104 -8.835 16.786 -12.870 1.00 63.11 O ATOM 0 H GLY A 104 -6.390 15.737 -11.870 1.00 71.41 H new ATOM 0 HA2 GLY A 104 -7.742 13.709 -12.897 1.00 54.41 H new ATOM 0 HA3 GLY A 104 -8.943 14.294 -11.764 1.00 54.41 H new ATOM 1673 N LEU A 105 -8.298 15.435 -14.632 1.00 42.21 N ATOM 1674 CA LEU A 105 -8.629 16.412 -15.700 1.00 21.44 C ATOM 1675 C LEU A 105 -10.136 16.754 -15.687 1.00 53.24 C ATOM 1676 O LEU A 105 -10.532 17.879 -16.013 1.00 30.15 O ATOM 1677 CB LEU A 105 -8.219 15.851 -17.098 1.00 15.44 C ATOM 1678 CG LEU A 105 -6.710 15.473 -17.277 1.00 72.13 C ATOM 1679 CD1 LEU A 105 -6.436 14.927 -18.698 1.00 21.42 C ATOM 1680 CD2 LEU A 105 -5.782 16.664 -16.935 1.00 31.14 C ATOM 0 H LEU A 105 -7.949 14.545 -14.987 1.00 42.21 H new ATOM 0 HA LEU A 105 -8.067 17.326 -15.507 1.00 21.44 H new ATOM 0 HB2 LEU A 105 -8.820 14.965 -17.301 1.00 15.44 H new ATOM 0 HB3 LEU A 105 -8.478 16.592 -17.854 1.00 15.44 H new ATOM 0 HG LEU A 105 -6.483 14.675 -16.569 1.00 72.13 H new ATOM 0 HD11 LEU A 105 -5.380 14.673 -18.793 1.00 21.42 H new ATOM 0 HD12 LEU A 105 -7.040 14.036 -18.868 1.00 21.42 H new ATOM 0 HD13 LEU A 105 -6.694 15.687 -19.436 1.00 21.42 H new ATOM 0 HD21 LEU A 105 -4.742 16.366 -17.070 1.00 31.14 H new ATOM 0 HD22 LEU A 105 -6.008 17.502 -17.594 1.00 31.14 H new ATOM 0 HD23 LEU A 105 -5.942 16.964 -15.899 1.00 31.14 H new ATOM 1692 N VAL A 106 -10.941 15.755 -15.296 1.00 50.30 N ATOM 1693 CA VAL A 106 -12.413 15.846 -15.203 1.00 73.23 C ATOM 1694 C VAL A 106 -12.890 16.989 -14.256 1.00 2.41 C ATOM 1695 O VAL A 106 -12.205 17.306 -13.265 1.00 52.21 O ATOM 1696 CB VAL A 106 -13.007 14.474 -14.695 1.00 33.43 C ATOM 1697 CG1 VAL A 106 -12.709 13.329 -15.689 1.00 62.21 C ATOM 1698 CG2 VAL A 106 -12.479 14.130 -13.280 1.00 23.35 C ATOM 0 H VAL A 106 -10.582 14.838 -15.029 1.00 50.30 H new ATOM 0 HA VAL A 106 -12.776 16.074 -16.205 1.00 73.23 H new ATOM 0 HB VAL A 106 -14.089 14.586 -14.634 1.00 33.43 H new ATOM 0 HG11 VAL A 106 -13.131 12.399 -15.310 1.00 62.21 H new ATOM 0 HG12 VAL A 106 -13.154 13.562 -16.656 1.00 62.21 H new ATOM 0 HG13 VAL A 106 -11.631 13.218 -15.803 1.00 62.21 H new ATOM 0 HG21 VAL A 106 -12.904 13.180 -12.954 1.00 23.35 H new ATOM 0 HG22 VAL A 106 -11.392 14.051 -13.306 1.00 23.35 H new ATOM 0 HG23 VAL A 106 -12.769 14.916 -12.582 1.00 23.35 H new ATOM 1708 N PRO A 107 -14.066 17.639 -14.559 1.00 60.12 N ATOM 1709 CA PRO A 107 -14.705 18.593 -13.632 1.00 52.51 C ATOM 1710 C PRO A 107 -15.264 17.862 -12.393 1.00 52.23 C ATOM 1711 O PRO A 107 -15.995 16.866 -12.511 1.00 53.24 O ATOM 1712 CB PRO A 107 -15.831 19.238 -14.481 1.00 11.53 C ATOM 1713 CG PRO A 107 -16.150 18.217 -15.531 1.00 3.04 C ATOM 1714 CD PRO A 107 -14.835 17.525 -15.835 1.00 51.32 C ATOM 0 HA PRO A 107 -14.013 19.337 -13.238 1.00 52.51 H new ATOM 0 HB2 PRO A 107 -16.706 19.465 -13.871 1.00 11.53 H new ATOM 0 HB3 PRO A 107 -15.502 20.176 -14.928 1.00 11.53 H new ATOM 0 HG2 PRO A 107 -16.894 17.506 -15.174 1.00 3.04 H new ATOM 0 HG3 PRO A 107 -16.562 18.688 -16.424 1.00 3.04 H new ATOM 0 HD2 PRO A 107 -14.988 16.483 -16.118 1.00 51.32 H new ATOM 0 HD3 PRO A 107 -14.312 18.006 -16.661 1.00 51.32 H new ATOM 1722 N ARG A 108 -14.874 18.345 -11.215 1.00 31.10 N ATOM 1723 CA ARG A 108 -15.280 17.781 -9.928 1.00 4.30 C ATOM 1724 C ARG A 108 -16.362 18.674 -9.302 1.00 71.23 C ATOM 1725 O ARG A 108 -16.173 19.891 -9.198 1.00 14.10 O ATOM 1726 CB ARG A 108 -14.049 17.677 -8.988 1.00 13.00 C ATOM 1727 CG ARG A 108 -12.833 16.929 -9.593 1.00 12.42 C ATOM 1728 CD ARG A 108 -11.561 17.089 -8.741 1.00 74.21 C ATOM 1729 NE ARG A 108 -11.266 18.508 -8.472 1.00 3.02 N ATOM 1730 CZ ARG A 108 -10.215 19.195 -8.935 1.00 63.00 C ATOM 1731 NH1 ARG A 108 -9.308 18.628 -9.733 1.00 13.23 N ATOM 1732 NH2 ARG A 108 -10.095 20.472 -8.618 1.00 40.30 N ATOM 0 H ARG A 108 -14.257 19.152 -11.126 1.00 31.10 H new ATOM 0 HA ARG A 108 -15.687 16.781 -10.076 1.00 4.30 H new ATOM 0 HB2 ARG A 108 -13.737 18.683 -8.708 1.00 13.00 H new ATOM 0 HB3 ARG A 108 -14.351 17.170 -8.071 1.00 13.00 H new ATOM 0 HG2 ARG A 108 -13.072 15.870 -9.688 1.00 12.42 H new ATOM 0 HG3 ARG A 108 -12.643 17.304 -10.599 1.00 12.42 H new ATOM 0 HD2 ARG A 108 -11.684 16.557 -7.798 1.00 74.21 H new ATOM 0 HD3 ARG A 108 -10.716 16.632 -9.257 1.00 74.21 H new ATOM 0 HE ARG A 108 -11.924 19.013 -7.878 1.00 3.02 H new ATOM 0 HH11 ARG A 108 -9.407 17.649 -10.003 1.00 13.23 H new ATOM 0 HH12 ARG A 108 -8.516 19.173 -10.073 1.00 13.23 H new ATOM 0 HH21 ARG A 108 -10.797 20.919 -8.029 1.00 40.30 H new ATOM 0 HH22 ARG A 108 -9.300 21.010 -8.962 1.00 40.30 H new ATOM 1746 N GLY A 109 -17.494 18.068 -8.913 1.00 61.23 N ATOM 1747 CA GLY A 109 -18.570 18.774 -8.209 1.00 32.32 C ATOM 1748 C GLY A 109 -19.881 17.996 -8.194 1.00 34.02 C ATOM 1749 O GLY A 109 -20.949 18.588 -8.021 1.00 14.04 O ATOM 0 H GLY A 109 -17.687 17.080 -9.077 1.00 61.23 H new ATOM 0 HA2 GLY A 109 -18.258 18.970 -7.183 1.00 32.32 H new ATOM 0 HA3 GLY A 109 -18.733 19.742 -8.683 1.00 32.32 H new ATOM 1753 N SER A 110 -19.806 16.663 -8.357 1.00 60.11 N ATOM 1754 CA SER A 110 -20.983 15.777 -8.396 1.00 31.42 C ATOM 1755 C SER A 110 -20.692 14.489 -7.598 1.00 13.32 C ATOM 1756 O SER A 110 -21.228 14.298 -6.501 1.00 63.21 O ATOM 1757 CB SER A 110 -21.354 15.439 -9.863 1.00 3.15 C ATOM 1758 OG SER A 110 -21.498 16.609 -10.650 1.00 31.30 O ATOM 0 H SER A 110 -18.921 16.167 -8.466 1.00 60.11 H new ATOM 0 HA SER A 110 -21.831 16.289 -7.940 1.00 31.42 H new ATOM 0 HB2 SER A 110 -20.583 14.802 -10.296 1.00 3.15 H new ATOM 0 HB3 SER A 110 -22.284 14.871 -9.882 1.00 3.15 H new ATOM 0 HG SER A 110 -21.730 16.359 -11.569 1.00 31.30 H new ATOM 1764 N GLY A 111 -19.829 13.613 -8.163 1.00 51.15 N ATOM 1765 CA GLY A 111 -19.437 12.347 -7.526 1.00 51.25 C ATOM 1766 C GLY A 111 -19.579 11.148 -8.463 1.00 32.22 C ATOM 1767 O GLY A 111 -20.077 10.091 -8.054 1.00 20.54 O ATOM 0 H GLY A 111 -19.390 13.769 -9.070 1.00 51.15 H new ATOM 0 HA2 GLY A 111 -18.403 12.419 -7.189 1.00 51.25 H new ATOM 0 HA3 GLY A 111 -20.051 12.185 -6.640 1.00 51.25 H new ATOM 1771 N GLY A 112 -19.135 11.321 -9.725 1.00 0.02 N ATOM 1772 CA GLY A 112 -19.181 10.265 -10.743 1.00 52.52 C ATOM 1773 C GLY A 112 -17.797 9.689 -11.056 1.00 64.42 C ATOM 1774 O GLY A 112 -17.171 9.082 -10.181 1.00 24.43 O ATOM 0 H GLY A 112 -18.736 12.197 -10.061 1.00 0.02 H new ATOM 0 HA2 GLY A 112 -19.835 9.463 -10.400 1.00 52.52 H new ATOM 0 HA3 GLY A 112 -19.619 10.665 -11.657 1.00 52.52 H new ATOM 1778 N ILE A 113 -17.318 9.896 -12.304 1.00 44.55 N ATOM 1779 CA ILE A 113 -16.001 9.397 -12.782 1.00 72.20 C ATOM 1780 C ILE A 113 -14.852 10.168 -12.090 1.00 15.11 C ATOM 1781 O ILE A 113 -13.737 9.639 -11.894 1.00 23.23 O ATOM 1782 CB ILE A 113 -15.889 9.497 -14.358 1.00 60.41 C ATOM 1783 CG1 ILE A 113 -14.589 8.811 -14.893 1.00 22.04 C ATOM 1784 CG2 ILE A 113 -15.979 10.966 -14.850 1.00 64.42 C ATOM 1785 CD1 ILE A 113 -14.473 8.751 -16.415 1.00 12.03 C ATOM 0 H ILE A 113 -17.834 10.416 -13.014 1.00 44.55 H new ATOM 0 HA ILE A 113 -15.916 8.343 -12.516 1.00 72.20 H new ATOM 0 HB ILE A 113 -16.743 8.956 -14.767 1.00 60.41 H new ATOM 0 HG12 ILE A 113 -13.725 9.345 -14.498 1.00 22.04 H new ATOM 0 HG13 ILE A 113 -14.543 7.796 -14.499 1.00 22.04 H new ATOM 0 HG21 ILE A 113 -15.898 10.991 -15.937 1.00 64.42 H new ATOM 0 HG22 ILE A 113 -16.935 11.393 -14.547 1.00 64.42 H new ATOM 0 HG23 ILE A 113 -15.167 11.547 -14.412 1.00 64.42 H new ATOM 0 HD11 ILE A 113 -13.540 8.259 -16.690 1.00 12.03 H new ATOM 0 HD12 ILE A 113 -15.314 8.189 -16.822 1.00 12.03 H new ATOM 0 HD13 ILE A 113 -14.482 9.763 -16.821 1.00 12.03 H new ATOM 1797 N GLU A 114 -15.176 11.417 -11.696 1.00 32.44 N ATOM 1798 CA GLU A 114 -14.342 12.258 -10.819 1.00 51.21 C ATOM 1799 C GLU A 114 -14.015 11.530 -9.511 1.00 75.44 C ATOM 1800 O GLU A 114 -12.922 11.681 -8.984 1.00 41.35 O ATOM 1801 CB GLU A 114 -15.071 13.585 -10.505 1.00 32.25 C ATOM 1802 CG GLU A 114 -16.432 13.382 -9.818 1.00 14.51 C ATOM 1803 CD GLU A 114 -17.133 14.683 -9.466 1.00 14.25 C ATOM 1804 OE1 GLU A 114 -16.883 15.221 -8.375 1.00 12.43 O ATOM 1805 OE2 GLU A 114 -17.956 15.170 -10.264 1.00 74.53 O ATOM 0 H GLU A 114 -16.040 11.875 -11.985 1.00 32.44 H new ATOM 0 HA GLU A 114 -13.409 12.470 -11.342 1.00 51.21 H new ATOM 0 HB2 GLU A 114 -14.436 14.198 -9.865 1.00 32.25 H new ATOM 0 HB3 GLU A 114 -15.218 14.139 -11.432 1.00 32.25 H new ATOM 0 HG2 GLU A 114 -17.077 12.797 -10.473 1.00 14.51 H new ATOM 0 HG3 GLU A 114 -16.288 12.799 -8.909 1.00 14.51 H new ATOM 1812 N GLY A 115 -14.984 10.722 -9.023 1.00 74.01 N ATOM 1813 CA GLY A 115 -14.809 9.922 -7.825 1.00 20.42 C ATOM 1814 C GLY A 115 -13.650 8.951 -7.959 1.00 14.12 C ATOM 1815 O GLY A 115 -12.722 8.981 -7.156 1.00 64.04 O ATOM 0 H GLY A 115 -15.900 10.618 -9.459 1.00 74.01 H new ATOM 0 HA2 GLY A 115 -14.636 10.578 -6.972 1.00 20.42 H new ATOM 0 HA3 GLY A 115 -15.725 9.368 -7.621 1.00 20.42 H new ATOM 1819 N MET A1001 -13.681 8.147 -9.040 1.00 74.01 N ATOM 1820 CA MET A1001 -12.626 7.165 -9.353 1.00 11.23 C ATOM 1821 C MET A1001 -11.254 7.850 -9.506 1.00 30.44 C ATOM 1822 O MET A1001 -10.263 7.396 -8.917 1.00 72.51 O ATOM 1823 CB MET A1001 -12.972 6.393 -10.654 1.00 4.35 C ATOM 1824 CG MET A1001 -11.895 5.390 -11.120 1.00 64.30 C ATOM 1825 SD MET A1001 -12.241 4.682 -12.739 1.00 34.43 S ATOM 1826 CE MET A1001 -12.327 6.148 -13.773 1.00 20.41 C ATOM 0 H MET A1001 -14.440 8.161 -9.721 1.00 74.01 H new ATOM 0 HA MET A1001 -12.571 6.462 -8.521 1.00 11.23 H new ATOM 0 HB2 MET A1001 -13.908 5.855 -10.502 1.00 4.35 H new ATOM 0 HB3 MET A1001 -13.145 7.115 -11.452 1.00 4.35 H new ATOM 0 HG2 MET A1001 -10.928 5.892 -11.149 1.00 64.30 H new ATOM 0 HG3 MET A1001 -11.815 4.586 -10.388 1.00 64.30 H new ATOM 0 HE1 MET A1001 -12.465 5.852 -14.813 1.00 20.41 H new ATOM 0 HE2 MET A1001 -13.167 6.767 -13.457 1.00 20.41 H new ATOM 0 HE3 MET A1001 -11.401 6.716 -13.677 1.00 20.41 H new ATOM 1836 N THR A1002 -11.215 8.954 -10.282 1.00 11.45 N ATOM 1837 CA THR A1002 -9.952 9.654 -10.586 1.00 44.24 C ATOM 1838 C THR A1002 -9.319 10.278 -9.331 1.00 33.10 C ATOM 1839 O THR A1002 -8.121 10.124 -9.116 1.00 15.54 O ATOM 1840 CB THR A1002 -10.130 10.740 -11.700 1.00 31.01 C ATOM 1841 OG1 THR A1002 -11.215 11.618 -11.379 1.00 25.40 O ATOM 1842 CG2 THR A1002 -10.379 10.104 -13.074 1.00 12.35 C ATOM 0 H THR A1002 -12.040 9.377 -10.707 1.00 11.45 H new ATOM 0 HA THR A1002 -9.271 8.892 -10.965 1.00 44.24 H new ATOM 0 HB THR A1002 -9.202 11.310 -11.746 1.00 31.01 H new ATOM 0 HG1 THR A1002 -11.572 11.388 -10.496 1.00 25.40 H new ATOM 0 HG21 THR A1002 -10.498 10.888 -13.822 1.00 12.35 H new ATOM 0 HG22 THR A1002 -9.532 9.473 -13.342 1.00 12.35 H new ATOM 0 HG23 THR A1002 -11.285 9.499 -13.036 1.00 12.35 H new ATOM 1850 N THR A1003 -10.136 10.939 -8.488 1.00 51.21 N ATOM 1851 CA THR A1003 -9.637 11.625 -7.279 1.00 21.42 C ATOM 1852 C THR A1003 -9.169 10.611 -6.229 1.00 11.40 C ATOM 1853 O THR A1003 -8.119 10.801 -5.619 1.00 32.35 O ATOM 1854 CB THR A1003 -10.708 12.572 -6.654 1.00 12.30 C ATOM 1855 OG1 THR A1003 -11.917 11.842 -6.397 1.00 75.02 O ATOM 1856 CG2 THR A1003 -11.013 13.768 -7.569 1.00 3.54 C ATOM 0 H THR A1003 -11.145 11.013 -8.622 1.00 51.21 H new ATOM 0 HA THR A1003 -8.791 12.236 -7.593 1.00 21.42 H new ATOM 0 HB THR A1003 -10.302 12.958 -5.719 1.00 12.30 H new ATOM 0 HG1 THR A1003 -12.400 11.702 -7.238 1.00 75.02 H new ATOM 0 HG21 THR A1003 -11.763 14.404 -7.099 1.00 3.54 H new ATOM 0 HG22 THR A1003 -10.101 14.343 -7.733 1.00 3.54 H new ATOM 0 HG23 THR A1003 -11.391 13.407 -8.526 1.00 3.54 H new ATOM 1864 N ARG A1004 -9.954 9.528 -6.051 1.00 22.43 N ATOM 1865 CA ARG A1004 -9.611 8.442 -5.111 1.00 63.21 C ATOM 1866 C ARG A1004 -8.274 7.794 -5.496 1.00 62.24 C ATOM 1867 O ARG A1004 -7.401 7.642 -4.652 1.00 45.25 O ATOM 1868 CB ARG A1004 -10.711 7.352 -5.070 1.00 52.41 C ATOM 1869 CG ARG A1004 -12.039 7.776 -4.417 1.00 52.33 C ATOM 1870 CD ARG A1004 -13.069 6.632 -4.412 1.00 43.23 C ATOM 1871 NE ARG A1004 -14.382 7.083 -3.924 1.00 74.52 N ATOM 1872 CZ ARG A1004 -15.395 6.279 -3.572 1.00 64.10 C ATOM 1873 NH1 ARG A1004 -15.272 4.959 -3.641 1.00 12.51 N ATOM 1874 NH2 ARG A1004 -16.539 6.809 -3.165 1.00 13.32 N ATOM 0 H ARG A1004 -10.833 9.383 -6.548 1.00 22.43 H new ATOM 0 HA ARG A1004 -9.529 8.891 -4.121 1.00 63.21 H new ATOM 0 HB2 ARG A1004 -10.915 7.028 -6.090 1.00 52.41 H new ATOM 0 HB3 ARG A1004 -10.322 6.487 -4.533 1.00 52.41 H new ATOM 0 HG2 ARG A1004 -11.852 8.101 -3.393 1.00 52.33 H new ATOM 0 HG3 ARG A1004 -12.450 8.632 -4.953 1.00 52.33 H new ATOM 0 HD2 ARG A1004 -13.174 6.232 -5.421 1.00 43.23 H new ATOM 0 HD3 ARG A1004 -12.707 5.819 -3.783 1.00 43.23 H new ATOM 0 HE ARG A1004 -14.533 8.089 -3.847 1.00 74.52 H new ATOM 0 HH11 ARG A1004 -14.398 4.544 -3.965 1.00 12.51 H new ATOM 0 HH12 ARG A1004 -16.051 4.359 -3.370 1.00 12.51 H new ATOM 0 HH21 ARG A1004 -16.644 7.823 -3.121 1.00 13.32 H new ATOM 0 HH22 ARG A1004 -17.314 6.203 -2.896 1.00 13.32 H new ATOM 1888 N LEU A1005 -8.132 7.450 -6.794 1.00 15.01 N ATOM 1889 CA LEU A1005 -6.947 6.741 -7.310 1.00 42.14 C ATOM 1890 C LEU A1005 -5.710 7.653 -7.406 1.00 5.34 C ATOM 1891 O LEU A1005 -4.596 7.162 -7.276 1.00 61.55 O ATOM 1892 CB LEU A1005 -7.238 6.047 -8.669 1.00 43.41 C ATOM 1893 CG LEU A1005 -8.130 4.763 -8.614 1.00 70.52 C ATOM 1894 CD1 LEU A1005 -8.362 4.188 -10.030 1.00 13.41 C ATOM 1895 CD2 LEU A1005 -7.524 3.695 -7.666 1.00 62.24 C ATOM 0 H LEU A1005 -8.832 7.655 -7.507 1.00 15.01 H new ATOM 0 HA LEU A1005 -6.714 5.964 -6.582 1.00 42.14 H new ATOM 0 HB2 LEU A1005 -7.720 6.771 -9.326 1.00 43.41 H new ATOM 0 HB3 LEU A1005 -6.286 5.783 -9.129 1.00 43.41 H new ATOM 0 HG LEU A1005 -9.100 5.050 -8.207 1.00 70.52 H new ATOM 0 HD11 LEU A1005 -8.985 3.296 -9.963 1.00 13.41 H new ATOM 0 HD12 LEU A1005 -8.862 4.934 -10.648 1.00 13.41 H new ATOM 0 HD13 LEU A1005 -7.403 3.928 -10.479 1.00 13.41 H new ATOM 0 HD21 LEU A1005 -8.168 2.815 -7.650 1.00 62.24 H new ATOM 0 HD22 LEU A1005 -6.533 3.413 -8.022 1.00 62.24 H new ATOM 0 HD23 LEU A1005 -7.445 4.105 -6.659 1.00 62.24 H new ATOM 1907 N THR A1006 -5.895 8.970 -7.625 1.00 4.45 N ATOM 1908 CA THR A1006 -4.762 9.923 -7.646 1.00 3.34 C ATOM 1909 C THR A1006 -4.249 10.186 -6.213 1.00 51.11 C ATOM 1910 O THR A1006 -3.042 10.252 -6.001 1.00 3.10 O ATOM 1911 CB THR A1006 -5.120 11.268 -8.368 1.00 3.24 C ATOM 1912 OG1 THR A1006 -6.329 11.814 -7.825 1.00 12.54 O ATOM 1913 CG2 THR A1006 -5.265 11.080 -9.899 1.00 42.51 C ATOM 0 H THR A1006 -6.807 9.397 -7.788 1.00 4.45 H new ATOM 0 HA THR A1006 -3.964 9.459 -8.227 1.00 3.34 H new ATOM 0 HB THR A1006 -4.298 11.962 -8.195 1.00 3.24 H new ATOM 0 HG1 THR A1006 -7.099 11.324 -8.183 1.00 12.54 H new ATOM 0 HG21 THR A1006 -5.513 12.036 -10.361 1.00 42.51 H new ATOM 0 HG22 THR A1006 -4.326 10.711 -10.311 1.00 42.51 H new ATOM 0 HG23 THR A1006 -6.058 10.361 -10.104 1.00 42.51 H new ATOM 1921 N ARG A1007 -5.180 10.299 -5.229 1.00 44.22 N ATOM 1922 CA ARG A1007 -4.825 10.371 -3.781 1.00 11.23 C ATOM 1923 C ARG A1007 -4.157 9.059 -3.332 1.00 42.32 C ATOM 1924 O ARG A1007 -3.220 9.062 -2.532 1.00 14.12 O ATOM 1925 CB ARG A1007 -6.081 10.636 -2.898 1.00 62.03 C ATOM 1926 CG ARG A1007 -6.739 12.016 -3.094 1.00 41.30 C ATOM 1927 CD ARG A1007 -5.809 13.193 -2.751 1.00 33.41 C ATOM 1928 NE ARG A1007 -5.284 13.115 -1.376 1.00 32.31 N ATOM 1929 CZ ARG A1007 -5.745 13.812 -0.324 1.00 53.23 C ATOM 1930 NH1 ARG A1007 -6.759 14.664 -0.457 1.00 14.10 N ATOM 1931 NH2 ARG A1007 -5.175 13.662 0.862 1.00 62.50 N ATOM 0 H ARG A1007 -6.183 10.342 -5.410 1.00 44.22 H new ATOM 0 HA ARG A1007 -4.131 11.202 -3.654 1.00 11.23 H new ATOM 0 HB2 ARG A1007 -6.822 9.864 -3.107 1.00 62.03 H new ATOM 0 HB3 ARG A1007 -5.798 10.531 -1.851 1.00 62.03 H new ATOM 0 HG2 ARG A1007 -7.065 12.111 -4.130 1.00 41.30 H new ATOM 0 HG3 ARG A1007 -7.632 12.076 -2.472 1.00 41.30 H new ATOM 0 HD2 ARG A1007 -4.976 13.211 -3.454 1.00 33.41 H new ATOM 0 HD3 ARG A1007 -6.352 14.130 -2.877 1.00 33.41 H new ATOM 0 HE ARG A1007 -4.505 12.478 -1.209 1.00 32.31 H new ATOM 0 HH11 ARG A1007 -7.198 14.796 -1.368 1.00 14.10 H new ATOM 0 HH12 ARG A1007 -7.097 15.185 0.352 1.00 14.10 H new ATOM 0 HH21 ARG A1007 -4.390 13.020 0.973 1.00 62.50 H new ATOM 0 HH22 ARG A1007 -5.521 14.189 1.664 1.00 62.50 H new ATOM 1945 N TRP A1008 -4.669 7.953 -3.884 1.00 20.31 N ATOM 1946 CA TRP A1008 -4.159 6.598 -3.655 1.00 70.34 C ATOM 1947 C TRP A1008 -2.706 6.485 -4.149 1.00 12.21 C ATOM 1948 O TRP A1008 -1.846 6.086 -3.379 1.00 51.21 O ATOM 1949 CB TRP A1008 -5.137 5.571 -4.323 1.00 62.21 C ATOM 1950 CG TRP A1008 -4.562 4.248 -4.772 1.00 2.12 C ATOM 1951 CD1 TRP A1008 -3.957 3.997 -5.964 1.00 43.42 C ATOM 1952 CD2 TRP A1008 -4.598 2.994 -4.080 1.00 51.41 C ATOM 1953 NE1 TRP A1008 -3.554 2.703 -6.027 1.00 10.13 N ATOM 1954 CE2 TRP A1008 -3.955 2.054 -4.898 1.00 65.42 C ATOM 1955 CE3 TRP A1008 -5.094 2.575 -2.849 1.00 70.51 C ATOM 1956 CZ2 TRP A1008 -3.795 0.727 -4.535 1.00 64.02 C ATOM 1957 CZ3 TRP A1008 -4.944 1.253 -2.486 1.00 31.31 C ATOM 1958 CH2 TRP A1008 -4.297 0.341 -3.331 1.00 61.53 C ATOM 0 H TRP A1008 -5.468 7.977 -4.517 1.00 20.31 H new ATOM 0 HA TRP A1008 -4.126 6.367 -2.590 1.00 70.34 H new ATOM 0 HB2 TRP A1008 -5.942 5.365 -3.617 1.00 62.21 H new ATOM 0 HB3 TRP A1008 -5.589 6.053 -5.190 1.00 62.21 H new ATOM 0 HD1 TRP A1008 -3.817 4.725 -6.749 1.00 43.42 H new ATOM 0 HE1 TRP A1008 -3.034 2.283 -6.797 1.00 10.13 H new ATOM 0 HE3 TRP A1008 -5.588 3.273 -2.189 1.00 70.51 H new ATOM 0 HZ2 TRP A1008 -3.291 0.025 -5.183 1.00 64.02 H new ATOM 0 HZ3 TRP A1008 -5.331 0.915 -1.536 1.00 31.31 H new ATOM 0 HH2 TRP A1008 -4.195 -0.688 -3.020 1.00 61.53 H new ATOM 1969 N LEU A1009 -2.433 6.939 -5.399 1.00 43.32 N ATOM 1970 CA LEU A1009 -1.096 6.795 -6.035 1.00 31.32 C ATOM 1971 C LEU A1009 -0.103 7.733 -5.338 1.00 64.40 C ATOM 1972 O LEU A1009 1.074 7.403 -5.188 1.00 12.44 O ATOM 1973 CB LEU A1009 -1.130 7.106 -7.567 1.00 42.34 C ATOM 1974 CG LEU A1009 -1.914 6.112 -8.501 1.00 75.34 C ATOM 1975 CD1 LEU A1009 -1.861 6.574 -9.976 1.00 20.11 C ATOM 1976 CD2 LEU A1009 -1.416 4.656 -8.367 1.00 52.22 C ATOM 0 H LEU A1009 -3.121 7.408 -5.988 1.00 43.32 H new ATOM 0 HA LEU A1009 -0.784 5.757 -5.923 1.00 31.32 H new ATOM 0 HB2 LEU A1009 -1.561 8.099 -7.698 1.00 42.34 H new ATOM 0 HB3 LEU A1009 -0.100 7.157 -7.921 1.00 42.34 H new ATOM 0 HG LEU A1009 -2.952 6.127 -8.169 1.00 75.34 H new ATOM 0 HD11 LEU A1009 -2.411 5.868 -10.598 1.00 20.11 H new ATOM 0 HD12 LEU A1009 -2.311 7.563 -10.064 1.00 20.11 H new ATOM 0 HD13 LEU A1009 -0.823 6.617 -10.307 1.00 20.11 H new ATOM 0 HD21 LEU A1009 -1.991 4.012 -9.033 1.00 52.22 H new ATOM 0 HD22 LEU A1009 -0.361 4.606 -8.635 1.00 52.22 H new ATOM 0 HD23 LEU A1009 -1.545 4.321 -7.338 1.00 52.22 H new ATOM 1988 N THR A1010 -0.614 8.905 -4.926 1.00 64.02 N ATOM 1989 CA THR A1010 0.117 9.890 -4.116 1.00 33.01 C ATOM 1990 C THR A1010 0.598 9.251 -2.794 1.00 4.41 C ATOM 1991 O THR A1010 1.776 9.364 -2.429 1.00 40.13 O ATOM 1992 CB THR A1010 -0.806 11.136 -3.840 1.00 20.02 C ATOM 1993 OG1 THR A1010 -1.007 11.865 -5.062 1.00 55.12 O ATOM 1994 CG2 THR A1010 -0.254 12.084 -2.769 1.00 72.14 C ATOM 0 H THR A1010 -1.564 9.199 -5.151 1.00 64.02 H new ATOM 0 HA THR A1010 0.998 10.224 -4.664 1.00 33.01 H new ATOM 0 HB THR A1010 -1.749 10.745 -3.458 1.00 20.02 H new ATOM 0 HG1 THR A1010 -1.723 11.443 -5.581 1.00 55.12 H new ATOM 0 HG21 THR A1010 -0.942 12.918 -2.632 1.00 72.14 H new ATOM 0 HG22 THR A1010 -0.145 11.545 -1.828 1.00 72.14 H new ATOM 0 HG23 THR A1010 0.718 12.463 -3.085 1.00 72.14 H new ATOM 2002 N ALA A1011 -0.321 8.531 -2.121 1.00 55.14 N ATOM 2003 CA ALA A1011 -0.044 7.865 -0.837 1.00 62.51 C ATOM 2004 C ALA A1011 0.847 6.623 -1.026 1.00 74.51 C ATOM 2005 O ALA A1011 1.603 6.269 -0.115 1.00 14.24 O ATOM 2006 CB ALA A1011 -1.359 7.501 -0.135 1.00 35.04 C ATOM 0 H ALA A1011 -1.276 8.396 -2.454 1.00 55.14 H new ATOM 0 HA ALA A1011 0.506 8.562 -0.204 1.00 62.51 H new ATOM 0 HB1 ALA A1011 -1.141 7.009 0.813 1.00 35.04 H new ATOM 0 HB2 ALA A1011 -1.936 8.407 0.050 1.00 35.04 H new ATOM 0 HB3 ALA A1011 -1.936 6.828 -0.769 1.00 35.04 H new ATOM 2012 N LEU A1012 0.759 5.981 -2.221 1.00 23.23 N ATOM 2013 CA LEU A1012 1.618 4.827 -2.575 1.00 44.42 C ATOM 2014 C LEU A1012 3.075 5.285 -2.692 1.00 14.32 C ATOM 2015 O LEU A1012 3.968 4.734 -2.062 1.00 3.25 O ATOM 2016 CB LEU A1012 1.203 4.153 -3.925 1.00 4.12 C ATOM 2017 CG LEU A1012 -0.232 3.541 -4.040 1.00 10.30 C ATOM 2018 CD1 LEU A1012 -0.325 2.583 -5.252 1.00 54.22 C ATOM 2019 CD2 LEU A1012 -0.686 2.861 -2.733 1.00 20.13 C ATOM 0 H LEU A1012 0.100 6.246 -2.953 1.00 23.23 H new ATOM 0 HA LEU A1012 1.497 4.092 -1.780 1.00 44.42 H new ATOM 0 HB2 LEU A1012 1.311 4.897 -4.715 1.00 4.12 H new ATOM 0 HB3 LEU A1012 1.920 3.359 -4.134 1.00 4.12 H new ATOM 0 HG LEU A1012 -0.925 4.365 -4.210 1.00 10.30 H new ATOM 0 HD11 LEU A1012 -1.332 2.169 -5.312 1.00 54.22 H new ATOM 0 HD12 LEU A1012 -0.103 3.132 -6.167 1.00 54.22 H new ATOM 0 HD13 LEU A1012 0.394 1.773 -5.131 1.00 54.22 H new ATOM 0 HD21 LEU A1012 -1.688 2.452 -2.864 1.00 20.13 H new ATOM 0 HD22 LEU A1012 0.005 2.056 -2.483 1.00 20.13 H new ATOM 0 HD23 LEU A1012 -0.696 3.594 -1.926 1.00 20.13 H new ATOM 2031 N ASP A1013 3.264 6.329 -3.508 1.00 23.41 N ATOM 2032 CA ASP A1013 4.583 6.885 -3.838 1.00 72.44 C ATOM 2033 C ASP A1013 5.254 7.471 -2.579 1.00 5.23 C ATOM 2034 O ASP A1013 6.464 7.313 -2.378 1.00 0.52 O ATOM 2035 CB ASP A1013 4.427 7.961 -4.943 1.00 44.10 C ATOM 2036 CG ASP A1013 5.775 8.499 -5.453 1.00 74.31 C ATOM 2037 OD1 ASP A1013 6.393 7.849 -6.322 1.00 13.21 O ATOM 2038 OD2 ASP A1013 6.230 9.558 -4.977 1.00 75.45 O ATOM 0 H ASP A1013 2.494 6.819 -3.964 1.00 23.41 H new ATOM 0 HA ASP A1013 5.227 6.090 -4.213 1.00 72.44 H new ATOM 0 HB2 ASP A1013 3.871 7.537 -5.779 1.00 44.10 H new ATOM 0 HB3 ASP A1013 3.835 8.790 -4.555 1.00 44.10 H new ATOM 2043 N ASN A1014 4.429 8.120 -1.723 1.00 35.21 N ATOM 2044 CA ASN A1014 4.888 8.714 -0.452 1.00 24.31 C ATOM 2045 C ASN A1014 5.326 7.617 0.536 1.00 50.24 C ATOM 2046 O ASN A1014 6.374 7.744 1.189 1.00 70.52 O ATOM 2047 CB ASN A1014 3.769 9.580 0.183 1.00 14.42 C ATOM 2048 CG ASN A1014 4.213 10.312 1.458 1.00 3.55 C ATOM 2049 OD1 ASN A1014 5.368 10.727 1.587 1.00 43.43 O ATOM 2050 ND2 ASN A1014 3.301 10.480 2.406 1.00 11.30 N ATOM 0 H ASN A1014 3.432 8.244 -1.896 1.00 35.21 H new ATOM 0 HA ASN A1014 5.745 9.351 -0.670 1.00 24.31 H new ATOM 0 HB2 ASN A1014 3.428 10.313 -0.548 1.00 14.42 H new ATOM 0 HB3 ASN A1014 2.916 8.943 0.417 1.00 14.42 H new ATOM 0 HD21 ASN A1014 3.547 10.963 3.270 1.00 11.30 H new ATOM 0 HD22 ASN A1014 2.354 10.126 2.271 1.00 11.30 H new ATOM 2057 N PHE A1015 4.508 6.540 0.628 1.00 42.10 N ATOM 2058 CA PHE A1015 4.794 5.385 1.491 1.00 32.05 C ATOM 2059 C PHE A1015 6.104 4.724 1.057 1.00 72.44 C ATOM 2060 O PHE A1015 7.039 4.693 1.839 1.00 64.11 O ATOM 2061 CB PHE A1015 3.622 4.372 1.455 1.00 12.23 C ATOM 2062 CG PHE A1015 3.909 2.999 2.082 1.00 5.23 C ATOM 2063 CD1 PHE A1015 3.980 1.868 1.283 1.00 13.44 C ATOM 2064 CD2 PHE A1015 4.092 2.840 3.452 1.00 73.11 C ATOM 2065 CE1 PHE A1015 4.221 0.624 1.807 1.00 62.41 C ATOM 2066 CE2 PHE A1015 4.340 1.587 3.989 1.00 11.43 C ATOM 2067 CZ PHE A1015 4.399 0.479 3.160 1.00 23.55 C ATOM 0 H PHE A1015 3.636 6.455 0.105 1.00 42.10 H new ATOM 0 HA PHE A1015 4.903 5.730 2.519 1.00 32.05 H new ATOM 0 HB2 PHE A1015 2.768 4.814 1.968 1.00 12.23 H new ATOM 0 HB3 PHE A1015 3.327 4.222 0.416 1.00 12.23 H new ATOM 0 HD1 PHE A1015 3.841 1.970 0.217 1.00 13.44 H new ATOM 0 HD2 PHE A1015 4.040 3.701 4.102 1.00 73.11 H new ATOM 0 HE1 PHE A1015 4.271 -0.238 1.158 1.00 62.41 H new ATOM 0 HE2 PHE A1015 4.487 1.474 5.053 1.00 11.43 H new ATOM 0 HZ PHE A1015 4.585 -0.499 3.578 1.00 23.55 H new ATOM 2077 N GLU A1016 6.145 4.245 -0.204 1.00 0.21 N ATOM 2078 CA GLU A1016 7.319 3.600 -0.824 1.00 40.31 C ATOM 2079 C GLU A1016 8.616 4.392 -0.578 1.00 12.43 C ATOM 2080 O GLU A1016 9.603 3.825 -0.091 1.00 31.35 O ATOM 2081 CB GLU A1016 7.080 3.444 -2.348 1.00 4.12 C ATOM 2082 CG GLU A1016 8.230 2.753 -3.122 1.00 20.53 C ATOM 2083 CD GLU A1016 8.077 2.846 -4.650 1.00 33.44 C ATOM 2084 OE1 GLU A1016 8.152 1.812 -5.353 1.00 23.33 O ATOM 2085 OE2 GLU A1016 7.889 3.975 -5.154 1.00 32.02 O ATOM 0 H GLU A1016 5.344 4.298 -0.833 1.00 0.21 H new ATOM 0 HA GLU A1016 7.442 2.621 -0.360 1.00 40.31 H new ATOM 0 HB2 GLU A1016 6.164 2.873 -2.501 1.00 4.12 H new ATOM 0 HB3 GLU A1016 6.915 4.432 -2.778 1.00 4.12 H new ATOM 0 HG2 GLU A1016 9.178 3.205 -2.831 1.00 20.53 H new ATOM 0 HG3 GLU A1016 8.275 1.703 -2.832 1.00 20.53 H new ATOM 2092 N ALA A1017 8.569 5.709 -0.874 1.00 52.13 N ATOM 2093 CA ALA A1017 9.724 6.614 -0.713 1.00 5.54 C ATOM 2094 C ALA A1017 10.206 6.669 0.751 1.00 2.42 C ATOM 2095 O ALA A1017 11.341 6.281 1.055 1.00 3.30 O ATOM 2096 CB ALA A1017 9.374 8.023 -1.215 1.00 13.34 C ATOM 0 H ALA A1017 7.732 6.172 -1.230 1.00 52.13 H new ATOM 0 HA ALA A1017 10.541 6.216 -1.314 1.00 5.54 H new ATOM 0 HB1 ALA A1017 10.236 8.678 -1.090 1.00 13.34 H new ATOM 0 HB2 ALA A1017 9.104 7.977 -2.270 1.00 13.34 H new ATOM 0 HB3 ALA A1017 8.534 8.415 -0.642 1.00 13.34 H new ATOM 2102 N LYS A1018 9.296 7.099 1.650 1.00 73.43 N ATOM 2103 CA LYS A1018 9.594 7.334 3.084 1.00 22.12 C ATOM 2104 C LYS A1018 10.005 6.035 3.803 1.00 22.41 C ATOM 2105 O LYS A1018 10.893 6.028 4.680 1.00 63.11 O ATOM 2106 CB LYS A1018 8.352 7.948 3.792 1.00 0.33 C ATOM 2107 CG LYS A1018 8.567 8.323 5.285 1.00 63.13 C ATOM 2108 CD LYS A1018 9.557 9.491 5.484 1.00 43.31 C ATOM 2109 CE LYS A1018 9.051 10.789 4.837 1.00 3.43 C ATOM 2110 NZ LYS A1018 9.974 11.926 5.083 1.00 61.23 N ATOM 0 H LYS A1018 8.326 7.295 1.402 1.00 73.43 H new ATOM 0 HA LYS A1018 10.432 8.029 3.135 1.00 22.12 H new ATOM 0 HB2 LYS A1018 8.048 8.842 3.248 1.00 0.33 H new ATOM 0 HB3 LYS A1018 7.527 7.239 3.726 1.00 0.33 H new ATOM 0 HG2 LYS A1018 7.607 8.590 5.727 1.00 63.13 H new ATOM 0 HG3 LYS A1018 8.934 7.449 5.823 1.00 63.13 H new ATOM 0 HD2 LYS A1018 9.715 9.655 6.550 1.00 43.31 H new ATOM 0 HD3 LYS A1018 10.523 9.225 5.055 1.00 43.31 H new ATOM 0 HE2 LYS A1018 8.937 10.639 3.763 1.00 3.43 H new ATOM 0 HE3 LYS A1018 8.064 11.031 5.231 1.00 3.43 H new ATOM 0 HZ1 LYS A1018 9.597 12.783 4.630 1.00 61.23 H new ATOM 0 HZ2 LYS A1018 10.063 12.086 6.107 1.00 61.23 H new ATOM 0 HZ3 LYS A1018 10.909 11.707 4.684 1.00 61.23 H new ATOM 2124 N MET A1019 9.360 4.931 3.422 1.00 62.21 N ATOM 2125 CA MET A1019 9.572 3.639 4.078 1.00 13.13 C ATOM 2126 C MET A1019 10.841 2.955 3.541 1.00 13.44 C ATOM 2127 O MET A1019 11.399 2.086 4.208 1.00 24.41 O ATOM 2128 CB MET A1019 8.330 2.709 3.975 1.00 34.11 C ATOM 2129 CG MET A1019 8.184 1.903 2.660 1.00 11.32 C ATOM 2130 SD MET A1019 7.671 0.204 2.967 1.00 14.12 S ATOM 2131 CE MET A1019 8.959 -0.314 4.091 1.00 40.23 C ATOM 0 H MET A1019 8.683 4.906 2.659 1.00 62.21 H new ATOM 0 HA MET A1019 9.718 3.836 5.140 1.00 13.13 H new ATOM 0 HB2 MET A1019 8.360 2.005 4.806 1.00 34.11 H new ATOM 0 HB3 MET A1019 7.435 3.318 4.105 1.00 34.11 H new ATOM 0 HG2 MET A1019 7.454 2.391 2.014 1.00 11.32 H new ATOM 0 HG3 MET A1019 9.134 1.904 2.126 1.00 11.32 H new ATOM 0 HE1 MET A1019 8.931 -1.398 4.202 1.00 40.23 H new ATOM 0 HE2 MET A1019 9.929 -0.015 3.695 1.00 40.23 H new ATOM 0 HE3 MET A1019 8.804 0.154 5.063 1.00 40.23 H new ATOM 2141 N ALA A1020 11.275 3.340 2.325 1.00 33.21 N ATOM 2142 CA ALA A1020 12.616 2.995 1.815 1.00 3.04 C ATOM 2143 C ALA A1020 13.683 3.783 2.597 1.00 2.15 C ATOM 2144 O ALA A1020 14.758 3.257 2.894 1.00 2.11 O ATOM 2145 CB ALA A1020 12.715 3.284 0.310 1.00 42.12 C ATOM 0 H ALA A1020 10.714 3.892 1.676 1.00 33.21 H new ATOM 0 HA ALA A1020 12.789 1.929 1.960 1.00 3.04 H new ATOM 0 HB1 ALA A1020 13.712 3.023 -0.046 1.00 42.12 H new ATOM 0 HB2 ALA A1020 11.972 2.691 -0.224 1.00 42.12 H new ATOM 0 HB3 ALA A1020 12.532 4.343 0.130 1.00 42.12 H new ATOM 2151 N LEU A1021 13.340 5.046 2.945 1.00 12.13 N ATOM 2152 CA LEU A1021 14.204 5.935 3.754 1.00 20.22 C ATOM 2153 C LEU A1021 14.352 5.425 5.207 1.00 71.31 C ATOM 2154 O LEU A1021 15.347 5.759 5.859 1.00 71.20 O ATOM 2155 CB LEU A1021 13.654 7.397 3.742 1.00 53.01 C ATOM 2156 CG LEU A1021 13.616 8.109 2.347 1.00 23.11 C ATOM 2157 CD1 LEU A1021 12.893 9.476 2.417 1.00 1.21 C ATOM 2158 CD2 LEU A1021 15.036 8.252 1.759 1.00 33.51 C ATOM 0 H LEU A1021 12.456 5.476 2.672 1.00 12.13 H new ATOM 0 HA LEU A1021 15.195 5.928 3.300 1.00 20.22 H new ATOM 0 HB2 LEU A1021 12.643 7.386 4.149 1.00 53.01 H new ATOM 0 HB3 LEU A1021 14.263 7.998 4.417 1.00 53.01 H new ATOM 0 HG LEU A1021 13.037 7.477 1.674 1.00 23.11 H new ATOM 0 HD11 LEU A1021 12.889 9.936 1.429 1.00 1.21 H new ATOM 0 HD12 LEU A1021 11.867 9.328 2.753 1.00 1.21 H new ATOM 0 HD13 LEU A1021 13.414 10.128 3.119 1.00 1.21 H new ATOM 0 HD21 LEU A1021 14.980 8.749 0.791 1.00 33.51 H new ATOM 0 HD22 LEU A1021 15.652 8.844 2.436 1.00 33.51 H new ATOM 0 HD23 LEU A1021 15.479 7.264 1.635 1.00 33.51 H new ATOM 2170 N LEU A1022 13.348 4.652 5.711 1.00 50.44 N ATOM 2171 CA LEU A1022 13.449 3.932 7.017 1.00 63.23 C ATOM 2172 C LEU A1022 14.763 3.094 7.104 1.00 42.42 C ATOM 2173 O LEU A1022 14.966 2.188 6.286 1.00 22.41 O ATOM 2174 CB LEU A1022 12.233 2.974 7.255 1.00 73.55 C ATOM 2175 CG LEU A1022 10.833 3.625 7.517 1.00 65.35 C ATOM 2176 CD1 LEU A1022 9.726 2.544 7.619 1.00 15.33 C ATOM 2177 CD2 LEU A1022 10.845 4.507 8.779 1.00 25.22 C ATOM 0 H LEU A1022 12.458 4.511 5.233 1.00 50.44 H new ATOM 0 HA LEU A1022 13.451 4.703 7.787 1.00 63.23 H new ATOM 0 HB2 LEU A1022 12.143 2.324 6.385 1.00 73.55 H new ATOM 0 HB3 LEU A1022 12.471 2.336 8.106 1.00 73.55 H new ATOM 0 HG LEU A1022 10.610 4.266 6.664 1.00 65.35 H new ATOM 0 HD11 LEU A1022 8.764 3.024 7.801 1.00 15.33 H new ATOM 0 HD12 LEU A1022 9.680 1.981 6.687 1.00 15.33 H new ATOM 0 HD13 LEU A1022 9.954 1.866 8.441 1.00 15.33 H new ATOM 0 HD21 LEU A1022 9.857 4.942 8.928 1.00 25.22 H new ATOM 0 HD22 LEU A1022 11.109 3.900 9.645 1.00 25.22 H new ATOM 0 HD23 LEU A1022 11.578 5.305 8.658 1.00 25.22 H new ATOM 2189 N PRO A1023 15.697 3.416 8.062 1.00 71.12 N ATOM 2190 CA PRO A1023 16.882 2.582 8.368 1.00 34.44 C ATOM 2191 C PRO A1023 16.652 1.691 9.613 1.00 51.32 C ATOM 2192 O PRO A1023 17.605 1.335 10.316 1.00 1.45 O ATOM 2193 CB PRO A1023 17.945 3.672 8.636 1.00 72.05 C ATOM 2194 CG PRO A1023 17.187 4.785 9.320 1.00 24.32 C ATOM 2195 CD PRO A1023 15.721 4.650 8.899 1.00 4.43 C ATOM 0 HA PRO A1023 17.148 1.876 7.582 1.00 34.44 H new ATOM 0 HB2 PRO A1023 18.749 3.294 9.267 1.00 72.05 H new ATOM 0 HB3 PRO A1023 18.402 4.016 7.708 1.00 72.05 H new ATOM 0 HG2 PRO A1023 17.286 4.711 10.403 1.00 24.32 H new ATOM 0 HG3 PRO A1023 17.584 5.758 9.030 1.00 24.32 H new ATOM 0 HD2 PRO A1023 15.064 4.558 9.764 1.00 4.43 H new ATOM 0 HD3 PRO A1023 15.386 5.521 8.336 1.00 4.43 H new ATOM 2203 N ALA A1024 15.381 1.333 9.862 1.00 32.03 N ATOM 2204 CA ALA A1024 14.960 0.618 11.078 1.00 54.12 C ATOM 2205 C ALA A1024 14.984 -0.906 10.866 1.00 60.53 C ATOM 2206 O ALA A1024 15.768 -1.621 11.499 1.00 52.44 O ATOM 2207 CB ALA A1024 13.558 1.096 11.499 1.00 44.25 C ATOM 0 H ALA A1024 14.613 1.533 9.221 1.00 32.03 H new ATOM 0 HA ALA A1024 15.665 0.843 11.878 1.00 54.12 H new ATOM 0 HB1 ALA A1024 13.248 0.566 12.399 1.00 44.25 H new ATOM 0 HB2 ALA A1024 13.584 2.167 11.700 1.00 44.25 H new ATOM 0 HB3 ALA A1024 12.849 0.894 10.697 1.00 44.25 H new ATOM 2213 N VAL A1025 14.116 -1.379 9.961 1.00 63.12 N ATOM 2214 CA VAL A1025 13.940 -2.808 9.662 1.00 72.24 C ATOM 2215 C VAL A1025 14.992 -3.251 8.613 1.00 2.43 C ATOM 2216 O VAL A1025 14.824 -2.938 7.412 1.00 22.01 O ATOM 2217 CB VAL A1025 12.477 -3.093 9.142 1.00 62.45 C ATOM 2218 CG1 VAL A1025 12.227 -4.606 8.917 1.00 63.52 C ATOM 2219 CG2 VAL A1025 11.429 -2.468 10.094 1.00 45.13 C ATOM 2220 OXT VAL A1025 16.001 -3.877 8.996 1.00 37.87 O ATOM 0 H VAL A1025 13.509 -0.773 9.409 1.00 63.12 H new ATOM 0 HA VAL A1025 14.086 -3.384 10.576 1.00 72.24 H new ATOM 0 HB VAL A1025 12.369 -2.616 8.168 1.00 62.45 H new ATOM 0 HG11 VAL A1025 11.208 -4.757 8.559 1.00 63.52 H new ATOM 0 HG12 VAL A1025 12.932 -4.985 8.177 1.00 63.52 H new ATOM 0 HG13 VAL A1025 12.365 -5.141 9.856 1.00 63.52 H new ATOM 0 HG21 VAL A1025 10.427 -2.675 9.718 1.00 45.13 H new ATOM 0 HG22 VAL A1025 11.540 -2.898 11.090 1.00 45.13 H new ATOM 0 HG23 VAL A1025 11.581 -1.390 10.145 1.00 45.13 H new TER 2230 VAL A1025