USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 GLN : amide:sc= -0.413 X(o=-0.45,f=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.0415 X(o=-0.45,f=0) USER MOD Set 2.1: A 18 SER OG : rot -86:sc= -0.953 USER MOD Set 2.2: A 74 ASN : amide:sc=-0.00963 X(o=-0.96,f=-1.4) USER MOD Set 3.1: A 40 TYR OH : rot -5:sc= -0.257 USER MOD Set 3.2: A 71 THR OG1 : rot -120:sc= -0.863 USER MOD Set 4.1: A 42 GLN : amide:sc= -0.285 K(o=0.94,f=0.27) USER MOD Set 4.2: A 46 THR OG1 : rot 88:sc= 1.23 USER MOD Set 5.1: A 19 GLN :FLIP amide:sc= 0.081 F(o=-3.8,f=-1.4) USER MOD Set 5.2: A 70 GLN : amide:sc= -1.52! C(o=-1.4!,f=-3.8!) USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ -129:sc= 1.07 (180deg=0.148) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -153:sc= 0.331 USER MOD Single : A 9 ASN : amide:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.9!) USER MOD Single : A 20 SER OG : rot 66:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc=-0.00333 K(o=-0.0033,f=-1.3) USER MOD Single : A 35 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.42) USER MOD Single : A 36 GLN : amide:sc=-0.00649 X(o=-0.0065,f=-0.17) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00259 USER MOD Single : A 43 SER OG : rot 73:sc= 0.77 USER MOD Single : A 48 MET CE :methyl -169:sc=-0.00449 (180deg=-0.184) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 52 THR OG1 : rot 112:sc= -1.05 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.3 K(o=0.3,f=-0.67) USER MOD Single : A 63 MET CE :methyl -171:sc= -0.345 (180deg=-0.561) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -127:sc= 0.00295 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 1.09 (180deg=0.814) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00308) USER MOD Single : A 101 SER OG : rot -139:sc= 0.625 USER MOD Single : A 103 ASN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.658 1.450 21.236 1.00 70.34 N ATOM 2 CA MET A 1 1.671 2.283 20.563 1.00 41.33 C ATOM 3 C MET A 1 1.028 2.987 19.341 1.00 62.24 C ATOM 4 O MET A 1 0.868 2.395 18.271 1.00 14.41 O ATOM 5 CB MET A 1 2.936 1.430 20.217 1.00 11.03 C ATOM 6 CG MET A 1 2.730 0.223 19.284 1.00 74.14 C ATOM 7 SD MET A 1 1.545 -0.998 19.893 1.00 34.55 S ATOM 8 CE MET A 1 1.532 -2.177 18.533 1.00 5.23 C ATOM 0 H1 MET A 1 0.647 1.670 22.252 1.00 70.34 H new ATOM 0 H2 MET A 1 -0.279 1.646 20.829 1.00 70.34 H new ATOM 0 H3 MET A 1 0.890 0.445 21.102 1.00 70.34 H new ATOM 0 HA MET A 1 2.024 3.072 21.228 1.00 41.33 H new ATOM 0 HB2 MET A 1 3.675 2.089 19.761 1.00 11.03 H new ATOM 0 HB3 MET A 1 3.366 1.067 21.151 1.00 11.03 H new ATOM 0 HG2 MET A 1 2.394 0.584 18.312 1.00 74.14 H new ATOM 0 HG3 MET A 1 3.691 -0.268 19.127 1.00 74.14 H new ATOM 0 HE1 MET A 1 0.515 -2.534 18.371 1.00 5.23 H new ATOM 0 HE2 MET A 1 1.895 -1.691 17.627 1.00 5.23 H new ATOM 0 HE3 MET A 1 2.178 -3.020 18.776 1.00 5.23 H new ATOM 20 N THR A 2 0.643 4.267 19.545 1.00 24.53 N ATOM 21 CA THR A 2 -0.236 5.031 18.633 1.00 0.22 C ATOM 22 C THR A 2 0.310 5.136 17.196 1.00 24.20 C ATOM 23 O THR A 2 -0.424 4.861 16.241 1.00 41.32 O ATOM 24 CB THR A 2 -0.503 6.458 19.214 1.00 62.24 C ATOM 25 OG1 THR A 2 0.745 7.120 19.485 1.00 12.44 O ATOM 26 CG2 THR A 2 -1.340 6.400 20.502 1.00 53.42 C ATOM 0 H THR A 2 0.939 4.805 20.359 1.00 24.53 H new ATOM 0 HA THR A 2 -1.170 4.473 18.566 1.00 0.22 H new ATOM 0 HB THR A 2 -1.066 7.017 18.467 1.00 62.24 H new ATOM 0 HG1 THR A 2 0.569 8.014 19.847 1.00 12.44 H new ATOM 0 HG21 THR A 2 -1.504 7.411 20.875 1.00 53.42 H new ATOM 0 HG22 THR A 2 -2.301 5.931 20.291 1.00 53.42 H new ATOM 0 HG23 THR A 2 -0.809 5.817 21.255 1.00 53.42 H new ATOM 34 N SER A 3 1.599 5.502 17.062 1.00 1.45 N ATOM 35 CA SER A 3 2.236 5.726 15.749 1.00 50.23 C ATOM 36 C SER A 3 2.333 4.423 14.939 1.00 35.31 C ATOM 37 O SER A 3 2.128 4.441 13.726 1.00 70.54 O ATOM 38 CB SER A 3 3.637 6.347 15.930 1.00 11.02 C ATOM 39 OG SER A 3 3.565 7.547 16.670 1.00 54.35 O ATOM 0 H SER A 3 2.225 5.650 17.854 1.00 1.45 H new ATOM 0 HA SER A 3 1.608 6.421 15.191 1.00 50.23 H new ATOM 0 HB2 SER A 3 4.290 5.639 16.441 1.00 11.02 H new ATOM 0 HB3 SER A 3 4.081 6.543 14.954 1.00 11.02 H new ATOM 0 HG SER A 3 4.465 7.922 16.774 1.00 54.35 H new ATOM 45 N THR A 4 2.631 3.299 15.631 1.00 2.22 N ATOM 46 CA THR A 4 2.830 1.989 14.982 1.00 34.43 C ATOM 47 C THR A 4 1.500 1.342 14.562 1.00 31.45 C ATOM 48 O THR A 4 1.429 0.721 13.504 1.00 62.25 O ATOM 49 CB THR A 4 3.631 1.004 15.887 1.00 5.54 C ATOM 50 OG1 THR A 4 4.799 1.655 16.409 1.00 11.11 O ATOM 51 CG2 THR A 4 4.062 -0.263 15.114 1.00 14.23 C ATOM 0 H THR A 4 2.739 3.277 16.645 1.00 2.22 H new ATOM 0 HA THR A 4 3.415 2.187 14.084 1.00 34.43 H new ATOM 0 HB THR A 4 2.973 0.702 16.702 1.00 5.54 H new ATOM 0 HG1 THR A 4 5.491 0.986 16.595 1.00 11.11 H new ATOM 0 HG21 THR A 4 4.617 -0.924 15.779 1.00 14.23 H new ATOM 0 HG22 THR A 4 3.178 -0.781 14.743 1.00 14.23 H new ATOM 0 HG23 THR A 4 4.695 0.021 14.274 1.00 14.23 H new ATOM 59 N VAL A 5 0.457 1.481 15.397 1.00 15.44 N ATOM 60 CA VAL A 5 -0.884 0.957 15.070 1.00 34.34 C ATOM 61 C VAL A 5 -1.477 1.753 13.893 1.00 25.13 C ATOM 62 O VAL A 5 -2.064 1.172 12.979 1.00 31.32 O ATOM 63 CB VAL A 5 -1.856 0.997 16.311 1.00 60.50 C ATOM 64 CG1 VAL A 5 -3.282 0.505 15.942 1.00 74.33 C ATOM 65 CG2 VAL A 5 -1.281 0.170 17.486 1.00 33.11 C ATOM 0 H VAL A 5 0.514 1.950 16.301 1.00 15.44 H new ATOM 0 HA VAL A 5 -0.775 -0.090 14.785 1.00 34.34 H new ATOM 0 HB VAL A 5 -1.939 2.037 16.626 1.00 60.50 H new ATOM 0 HG11 VAL A 5 -3.921 0.548 16.824 1.00 74.33 H new ATOM 0 HG12 VAL A 5 -3.697 1.143 15.162 1.00 74.33 H new ATOM 0 HG13 VAL A 5 -3.230 -0.522 15.581 1.00 74.33 H new ATOM 0 HG21 VAL A 5 -1.968 0.212 18.331 1.00 33.11 H new ATOM 0 HG22 VAL A 5 -1.153 -0.866 17.173 1.00 33.11 H new ATOM 0 HG23 VAL A 5 -0.316 0.581 17.782 1.00 33.11 H new ATOM 75 N GLU A 6 -1.263 3.082 13.918 1.00 30.13 N ATOM 76 CA GLU A 6 -1.673 3.998 12.834 1.00 35.03 C ATOM 77 C GLU A 6 -0.889 3.666 11.540 1.00 73.34 C ATOM 78 O GLU A 6 -1.445 3.701 10.454 1.00 24.34 O ATOM 79 CB GLU A 6 -1.455 5.469 13.311 1.00 4.23 C ATOM 80 CG GLU A 6 -2.185 6.584 12.514 1.00 1.31 C ATOM 81 CD GLU A 6 -1.496 6.981 11.197 1.00 63.24 C ATOM 82 OE1 GLU A 6 -0.430 7.636 11.254 1.00 12.14 O ATOM 83 OE2 GLU A 6 -2.007 6.653 10.108 1.00 40.24 O ATOM 0 H GLU A 6 -0.799 3.554 14.694 1.00 30.13 H new ATOM 0 HA GLU A 6 -2.731 3.875 12.601 1.00 35.03 H new ATOM 0 HB2 GLU A 6 -1.768 5.537 14.353 1.00 4.23 H new ATOM 0 HB3 GLU A 6 -0.386 5.679 13.285 1.00 4.23 H new ATOM 0 HG2 GLU A 6 -3.199 6.251 12.293 1.00 1.31 H new ATOM 0 HG3 GLU A 6 -2.271 7.468 13.146 1.00 1.31 H new ATOM 90 N PHE A 7 0.391 3.292 11.708 1.00 43.11 N ATOM 91 CA PHE A 7 1.300 2.878 10.615 1.00 44.42 C ATOM 92 C PHE A 7 0.818 1.580 9.926 1.00 62.20 C ATOM 93 O PHE A 7 0.757 1.508 8.686 1.00 22.13 O ATOM 94 CB PHE A 7 2.711 2.720 11.217 1.00 12.03 C ATOM 95 CG PHE A 7 3.813 2.206 10.303 1.00 51.22 C ATOM 96 CD1 PHE A 7 4.340 3.005 9.288 1.00 22.20 C ATOM 97 CD2 PHE A 7 4.366 0.941 10.503 1.00 33.22 C ATOM 98 CE1 PHE A 7 5.384 2.556 8.512 1.00 71.22 C ATOM 99 CE2 PHE A 7 5.399 0.494 9.718 1.00 75.35 C ATOM 100 CZ PHE A 7 5.907 1.297 8.725 1.00 60.32 C ATOM 0 H PHE A 7 0.836 3.267 12.625 1.00 43.11 H new ATOM 0 HA PHE A 7 1.312 3.637 9.832 1.00 44.42 H new ATOM 0 HB2 PHE A 7 3.021 3.690 11.605 1.00 12.03 H new ATOM 0 HB3 PHE A 7 2.639 2.044 12.069 1.00 12.03 H new ATOM 0 HD1 PHE A 7 3.924 3.986 9.109 1.00 22.20 H new ATOM 0 HD2 PHE A 7 3.977 0.306 11.285 1.00 33.22 H new ATOM 0 HE1 PHE A 7 5.793 3.188 7.738 1.00 71.22 H new ATOM 0 HE2 PHE A 7 5.813 -0.490 9.881 1.00 75.35 H new ATOM 0 HZ PHE A 7 6.719 0.941 8.109 1.00 60.32 H new ATOM 110 N ILE A 8 0.457 0.563 10.737 1.00 2.31 N ATOM 111 CA ILE A 8 -0.112 -0.700 10.224 1.00 21.11 C ATOM 112 C ILE A 8 -1.450 -0.401 9.527 1.00 41.42 C ATOM 113 O ILE A 8 -1.715 -0.933 8.466 1.00 30.34 O ATOM 114 CB ILE A 8 -0.320 -1.775 11.361 1.00 41.24 C ATOM 115 CG1 ILE A 8 1.030 -2.093 12.083 1.00 21.05 C ATOM 116 CG2 ILE A 8 -0.957 -3.080 10.800 1.00 23.10 C ATOM 117 CD1 ILE A 8 0.902 -2.991 13.304 1.00 10.01 C ATOM 0 H ILE A 8 0.550 0.593 11.752 1.00 2.31 H new ATOM 0 HA ILE A 8 0.599 -1.125 9.515 1.00 21.11 H new ATOM 0 HB ILE A 8 -1.010 -1.350 12.090 1.00 41.24 H new ATOM 0 HG12 ILE A 8 1.705 -2.566 11.370 1.00 21.05 H new ATOM 0 HG13 ILE A 8 1.494 -1.154 12.386 1.00 21.05 H new ATOM 0 HG21 ILE A 8 -1.086 -3.799 11.609 1.00 23.10 H new ATOM 0 HG22 ILE A 8 -1.927 -2.851 10.359 1.00 23.10 H new ATOM 0 HG23 ILE A 8 -0.304 -3.505 10.038 1.00 23.10 H new ATOM 0 HD11 ILE A 8 1.888 -3.157 13.739 1.00 10.01 H new ATOM 0 HD12 ILE A 8 0.256 -2.513 14.041 1.00 10.01 H new ATOM 0 HD13 ILE A 8 0.470 -3.947 13.009 1.00 10.01 H new ATOM 129 N ASN A 9 -2.236 0.518 10.131 1.00 33.22 N ATOM 130 CA ASN A 9 -3.545 0.983 9.610 1.00 61.21 C ATOM 131 C ASN A 9 -3.389 1.649 8.228 1.00 31.33 C ATOM 132 O ASN A 9 -4.263 1.498 7.361 1.00 35.12 O ATOM 133 CB ASN A 9 -4.177 1.958 10.645 1.00 31.53 C ATOM 134 CG ASN A 9 -5.486 2.645 10.234 1.00 1.32 C ATOM 135 OD1 ASN A 9 -5.749 3.771 10.655 1.00 44.13 O ATOM 136 ND2 ASN A 9 -6.334 1.978 9.459 1.00 10.13 N ATOM 0 H ASN A 9 -1.976 0.966 11.009 1.00 33.22 H new ATOM 0 HA ASN A 9 -4.207 0.128 9.472 1.00 61.21 H new ATOM 0 HB2 ASN A 9 -4.358 1.405 11.567 1.00 31.53 H new ATOM 0 HB3 ASN A 9 -3.444 2.732 10.875 1.00 31.53 H new ATOM 0 HD21 ASN A 9 -7.227 2.398 9.200 1.00 10.13 H new ATOM 0 HD22 ASN A 9 -6.092 1.046 9.123 1.00 10.13 H new ATOM 143 N ARG A 10 -2.257 2.364 8.038 1.00 23.34 N ATOM 144 CA ARG A 10 -1.863 2.932 6.736 1.00 65.01 C ATOM 145 C ARG A 10 -1.727 1.806 5.716 1.00 51.32 C ATOM 146 O ARG A 10 -2.392 1.800 4.680 1.00 3.32 O ATOM 147 CB ARG A 10 -0.498 3.669 6.827 1.00 51.10 C ATOM 148 CG ARG A 10 -0.463 4.905 7.737 1.00 24.13 C ATOM 149 CD ARG A 10 0.953 5.521 7.865 1.00 64.43 C ATOM 150 NE ARG A 10 1.169 6.099 9.197 1.00 13.23 N ATOM 151 CZ ARG A 10 2.363 6.364 9.756 1.00 33.12 C ATOM 152 NH1 ARG A 10 3.500 6.117 9.106 1.00 60.21 N ATOM 153 NH2 ARG A 10 2.400 6.858 10.983 1.00 54.34 N ATOM 0 H ARG A 10 -1.593 2.562 8.786 1.00 23.34 H new ATOM 0 HA ARG A 10 -2.632 3.644 6.436 1.00 65.01 H new ATOM 0 HB2 ARG A 10 0.252 2.961 7.179 1.00 51.10 H new ATOM 0 HB3 ARG A 10 -0.203 3.973 5.823 1.00 51.10 H new ATOM 0 HG2 ARG A 10 -1.147 5.658 7.345 1.00 24.13 H new ATOM 0 HG3 ARG A 10 -0.825 4.631 8.728 1.00 24.13 H new ATOM 0 HD2 ARG A 10 1.703 4.754 7.674 1.00 64.43 H new ATOM 0 HD3 ARG A 10 1.085 6.292 7.106 1.00 64.43 H new ATOM 0 HE ARG A 10 0.339 6.319 9.748 1.00 13.23 H new ATOM 0 HH11 ARG A 10 3.475 5.720 8.167 1.00 60.21 H new ATOM 0 HH12 ARG A 10 4.396 6.325 9.548 1.00 60.21 H new ATOM 0 HH21 ARG A 10 1.532 7.032 11.489 1.00 54.34 H new ATOM 0 HH22 ARG A 10 3.297 7.065 11.423 1.00 54.34 H new ATOM 167 N TRP A 11 -0.864 0.834 6.056 1.00 1.02 N ATOM 168 CA TRP A 11 -0.535 -0.281 5.159 1.00 31.43 C ATOM 169 C TRP A 11 -1.703 -1.254 4.970 1.00 72.42 C ATOM 170 O TRP A 11 -1.762 -1.932 3.946 1.00 74.52 O ATOM 171 CB TRP A 11 0.737 -1.004 5.642 1.00 3.43 C ATOM 172 CG TRP A 11 1.958 -0.121 5.538 1.00 64.42 C ATOM 173 CD1 TRP A 11 2.685 0.422 6.555 1.00 70.31 C ATOM 174 CD2 TRP A 11 2.556 0.365 4.325 1.00 42.14 C ATOM 175 NE1 TRP A 11 3.705 1.180 6.048 1.00 14.33 N ATOM 176 CE2 TRP A 11 3.651 1.162 4.691 1.00 23.43 C ATOM 177 CE3 TRP A 11 2.276 0.194 2.968 1.00 11.43 C ATOM 178 CZ2 TRP A 11 4.467 1.793 3.757 1.00 14.53 C ATOM 179 CZ3 TRP A 11 3.086 0.812 2.041 1.00 52.40 C ATOM 180 CH2 TRP A 11 4.173 1.605 2.437 1.00 45.55 C ATOM 0 H TRP A 11 -0.380 0.801 6.953 1.00 1.02 H new ATOM 0 HA TRP A 11 -0.337 0.143 4.175 1.00 31.43 H new ATOM 0 HB2 TRP A 11 0.604 -1.321 6.677 1.00 3.43 H new ATOM 0 HB3 TRP A 11 0.889 -1.906 5.050 1.00 3.43 H new ATOM 0 HD1 TRP A 11 2.485 0.276 7.606 1.00 70.31 H new ATOM 0 HE1 TRP A 11 4.399 1.681 6.603 1.00 14.33 H new ATOM 0 HE3 TRP A 11 1.440 -0.412 2.651 1.00 11.43 H new ATOM 0 HZ2 TRP A 11 5.300 2.407 4.064 1.00 14.53 H new ATOM 0 HZ3 TRP A 11 2.880 0.683 0.989 1.00 52.40 H new ATOM 0 HH2 TRP A 11 4.788 2.075 1.684 1.00 45.55 H new ATOM 191 N GLN A 12 -2.643 -1.291 5.939 1.00 1.44 N ATOM 192 CA GLN A 12 -3.895 -2.057 5.809 1.00 70.01 C ATOM 193 C GLN A 12 -4.732 -1.414 4.714 1.00 35.52 C ATOM 194 O GLN A 12 -5.141 -2.079 3.775 1.00 50.24 O ATOM 195 CB GLN A 12 -4.706 -2.102 7.143 1.00 71.12 C ATOM 196 CG GLN A 12 -4.068 -2.955 8.254 1.00 4.32 C ATOM 197 CD GLN A 12 -4.860 -2.951 9.562 1.00 52.52 C ATOM 198 OE1 GLN A 12 -4.669 -2.085 10.411 1.00 11.10 O ATOM 199 NE2 GLN A 12 -5.744 -3.921 9.741 1.00 42.14 N ATOM 0 H GLN A 12 -2.554 -0.794 6.825 1.00 1.44 H new ATOM 0 HA GLN A 12 -3.647 -3.088 5.558 1.00 70.01 H new ATOM 0 HB2 GLN A 12 -4.830 -1.084 7.511 1.00 71.12 H new ATOM 0 HB3 GLN A 12 -5.703 -2.489 6.933 1.00 71.12 H new ATOM 0 HG2 GLN A 12 -3.971 -3.982 7.901 1.00 4.32 H new ATOM 0 HG3 GLN A 12 -3.060 -2.588 8.448 1.00 4.32 H new ATOM 0 HE21 GLN A 12 -5.881 -4.627 9.017 1.00 42.14 H new ATOM 0 HE22 GLN A 12 -6.288 -3.962 10.603 1.00 42.14 H new ATOM 208 N ARG A 13 -4.898 -0.083 4.829 1.00 71.44 N ATOM 209 CA ARG A 13 -5.708 0.720 3.907 1.00 62.43 C ATOM 210 C ARG A 13 -5.214 0.566 2.447 1.00 71.45 C ATOM 211 O ARG A 13 -6.008 0.302 1.537 1.00 50.12 O ATOM 212 CB ARG A 13 -5.668 2.214 4.334 1.00 60.24 C ATOM 213 CG ARG A 13 -6.612 3.127 3.526 1.00 24.31 C ATOM 214 CD ARG A 13 -8.105 2.792 3.758 1.00 11.20 C ATOM 215 NE ARG A 13 -8.995 3.589 2.901 1.00 31.41 N ATOM 216 CZ ARG A 13 -9.194 4.914 2.975 1.00 3.05 C ATOM 217 NH1 ARG A 13 -8.584 5.663 3.889 1.00 43.33 N ATOM 218 NH2 ARG A 13 -10.006 5.490 2.109 1.00 1.41 N ATOM 0 H ARG A 13 -4.468 0.466 5.573 1.00 71.44 H new ATOM 0 HA ARG A 13 -6.736 0.360 3.952 1.00 62.43 H new ATOM 0 HB2 ARG A 13 -5.927 2.286 5.390 1.00 60.24 H new ATOM 0 HB3 ARG A 13 -4.647 2.583 4.231 1.00 60.24 H new ATOM 0 HG2 ARG A 13 -6.430 4.166 3.800 1.00 24.31 H new ATOM 0 HG3 ARG A 13 -6.383 3.032 2.465 1.00 24.31 H new ATOM 0 HD2 ARG A 13 -8.272 1.732 3.565 1.00 11.20 H new ATOM 0 HD3 ARG A 13 -8.357 2.969 4.804 1.00 11.20 H new ATOM 0 HE ARG A 13 -9.512 3.086 2.180 1.00 31.41 H new ATOM 0 HH11 ARG A 13 -7.945 5.232 4.558 1.00 43.33 H new ATOM 0 HH12 ARG A 13 -8.755 6.668 3.921 1.00 43.33 H new ATOM 0 HH21 ARG A 13 -10.472 4.929 1.396 1.00 1.41 H new ATOM 0 HH22 ARG A 13 -10.167 6.496 2.153 1.00 1.41 H new ATOM 232 N ILE A 14 -3.886 0.695 2.262 1.00 72.03 N ATOM 233 CA ILE A 14 -3.252 0.636 0.938 1.00 33.40 C ATOM 234 C ILE A 14 -3.362 -0.798 0.353 1.00 11.34 C ATOM 235 O ILE A 14 -3.751 -0.970 -0.808 1.00 1.43 O ATOM 236 CB ILE A 14 -1.739 1.085 0.981 1.00 55.34 C ATOM 237 CG1 ILE A 14 -1.556 2.471 1.676 1.00 2.42 C ATOM 238 CG2 ILE A 14 -1.151 1.151 -0.444 1.00 12.04 C ATOM 239 CD1 ILE A 14 -0.102 2.906 1.813 1.00 1.52 C ATOM 0 H ILE A 14 -3.227 0.843 3.026 1.00 72.03 H new ATOM 0 HA ILE A 14 -3.784 1.336 0.294 1.00 33.40 H new ATOM 0 HB ILE A 14 -1.206 0.336 1.567 1.00 55.34 H new ATOM 0 HG12 ILE A 14 -2.099 3.226 1.107 1.00 2.42 H new ATOM 0 HG13 ILE A 14 -2.008 2.432 2.667 1.00 2.42 H new ATOM 0 HG21 ILE A 14 -0.108 1.462 -0.393 1.00 12.04 H new ATOM 0 HG22 ILE A 14 -1.214 0.167 -0.909 1.00 12.04 H new ATOM 0 HG23 ILE A 14 -1.716 1.870 -1.038 1.00 12.04 H new ATOM 0 HD11 ILE A 14 -0.058 3.878 2.305 1.00 1.52 H new ATOM 0 HD12 ILE A 14 0.443 2.173 2.408 1.00 1.52 H new ATOM 0 HD13 ILE A 14 0.351 2.979 0.824 1.00 1.52 H new ATOM 251 N ALA A 15 -3.051 -1.815 1.190 1.00 51.52 N ATOM 252 CA ALA A 15 -3.069 -3.244 0.789 1.00 22.30 C ATOM 253 C ALA A 15 -4.472 -3.704 0.353 1.00 64.11 C ATOM 254 O ALA A 15 -4.640 -4.372 -0.683 1.00 31.54 O ATOM 255 CB ALA A 15 -2.573 -4.116 1.952 1.00 54.44 C ATOM 0 H ALA A 15 -2.780 -1.669 2.163 1.00 51.52 H new ATOM 0 HA ALA A 15 -2.405 -3.355 -0.068 1.00 22.30 H new ATOM 0 HB1 ALA A 15 -2.588 -5.164 1.653 1.00 54.44 H new ATOM 0 HB2 ALA A 15 -1.555 -3.828 2.214 1.00 54.44 H new ATOM 0 HB3 ALA A 15 -3.224 -3.976 2.815 1.00 54.44 H new ATOM 261 N LEU A 16 -5.466 -3.306 1.151 1.00 21.52 N ATOM 262 CA LEU A 16 -6.874 -3.714 0.971 1.00 42.22 C ATOM 263 C LEU A 16 -7.485 -3.038 -0.265 1.00 21.22 C ATOM 264 O LEU A 16 -8.170 -3.695 -1.053 1.00 44.11 O ATOM 265 CB LEU A 16 -7.733 -3.384 2.230 1.00 41.34 C ATOM 266 CG LEU A 16 -7.383 -4.147 3.555 1.00 64.24 C ATOM 267 CD1 LEU A 16 -8.316 -3.707 4.709 1.00 30.02 C ATOM 268 CD2 LEU A 16 -7.413 -5.678 3.362 1.00 10.21 C ATOM 0 H LEU A 16 -5.322 -2.687 1.948 1.00 21.52 H new ATOM 0 HA LEU A 16 -6.879 -4.794 0.826 1.00 42.22 H new ATOM 0 HB2 LEU A 16 -7.651 -2.315 2.424 1.00 41.34 H new ATOM 0 HB3 LEU A 16 -8.777 -3.586 1.989 1.00 41.34 H new ATOM 0 HG LEU A 16 -6.362 -3.880 3.826 1.00 64.24 H new ATOM 0 HD11 LEU A 16 -8.053 -4.250 5.617 1.00 30.02 H new ATOM 0 HD12 LEU A 16 -8.202 -2.637 4.881 1.00 30.02 H new ATOM 0 HD13 LEU A 16 -9.351 -3.924 4.443 1.00 30.02 H new ATOM 0 HD21 LEU A 16 -7.165 -6.168 4.303 1.00 10.21 H new ATOM 0 HD22 LEU A 16 -8.409 -5.985 3.044 1.00 10.21 H new ATOM 0 HD23 LEU A 16 -6.686 -5.963 2.602 1.00 10.21 H new ATOM 280 N LEU A 17 -7.230 -1.718 -0.422 1.00 42.44 N ATOM 281 CA LEU A 17 -7.789 -0.935 -1.543 1.00 14.53 C ATOM 282 C LEU A 17 -7.119 -1.285 -2.881 1.00 14.24 C ATOM 283 O LEU A 17 -7.777 -1.215 -3.905 1.00 71.01 O ATOM 284 CB LEU A 17 -7.706 0.594 -1.292 1.00 35.24 C ATOM 285 CG LEU A 17 -8.637 1.188 -0.187 1.00 4.44 C ATOM 286 CD1 LEU A 17 -8.514 2.728 -0.151 1.00 43.21 C ATOM 287 CD2 LEU A 17 -10.108 0.746 -0.386 1.00 14.42 C ATOM 0 H LEU A 17 -6.643 -1.177 0.212 1.00 42.44 H new ATOM 0 HA LEU A 17 -8.842 -1.211 -1.604 1.00 14.53 H new ATOM 0 HB2 LEU A 17 -6.676 0.838 -1.033 1.00 35.24 H new ATOM 0 HB3 LEU A 17 -7.928 1.103 -2.230 1.00 35.24 H new ATOM 0 HG LEU A 17 -8.312 0.796 0.776 1.00 4.44 H new ATOM 0 HD11 LEU A 17 -9.169 3.127 0.624 1.00 43.21 H new ATOM 0 HD12 LEU A 17 -7.483 3.006 0.067 1.00 43.21 H new ATOM 0 HD13 LEU A 17 -8.804 3.139 -1.118 1.00 43.21 H new ATOM 0 HD21 LEU A 17 -10.727 1.178 0.400 1.00 14.42 H new ATOM 0 HD22 LEU A 17 -10.463 1.090 -1.357 1.00 14.42 H new ATOM 0 HD23 LEU A 17 -10.170 -0.341 -0.341 1.00 14.42 H new ATOM 299 N SER A 18 -5.823 -1.652 -2.872 1.00 64.35 N ATOM 300 CA SER A 18 -5.114 -2.093 -4.101 1.00 35.13 C ATOM 301 C SER A 18 -5.624 -3.473 -4.544 1.00 73.10 C ATOM 302 O SER A 18 -5.768 -3.738 -5.742 1.00 14.33 O ATOM 303 CB SER A 18 -3.604 -2.159 -3.858 1.00 72.13 C ATOM 304 OG SER A 18 -3.307 -3.087 -2.833 1.00 33.13 O ATOM 0 H SER A 18 -5.243 -1.654 -2.033 1.00 64.35 H new ATOM 0 HA SER A 18 -5.314 -1.366 -4.888 1.00 35.13 H new ATOM 0 HB2 SER A 18 -3.094 -2.448 -4.777 1.00 72.13 H new ATOM 0 HB3 SER A 18 -3.231 -1.173 -3.583 1.00 72.13 H new ATOM 0 HG SER A 18 -3.375 -2.644 -1.961 1.00 33.13 H new ATOM 310 N GLN A 19 -5.869 -4.353 -3.538 1.00 13.13 N ATOM 311 CA GLN A 19 -6.517 -5.662 -3.743 1.00 41.25 C ATOM 312 C GLN A 19 -7.909 -5.470 -4.389 1.00 1.20 C ATOM 313 O GLN A 19 -8.278 -6.177 -5.351 1.00 34.31 O ATOM 314 CB GLN A 19 -6.634 -6.405 -2.380 1.00 14.13 C ATOM 315 CG GLN A 19 -7.201 -7.837 -2.459 1.00 14.23 C ATOM 316 CD GLN A 19 -6.299 -8.796 -3.235 1.00 64.13 C ATOM 317 OE1 GLN A 19 -5.426 -9.501 -2.527 1.00 54.32 O flip ATOM 318 NE2 GLN A 19 -6.394 -8.911 -4.457 1.00 75.35 N flip ATOM 0 H GLN A 19 -5.621 -4.169 -2.566 1.00 13.13 H new ATOM 0 HA GLN A 19 -5.911 -6.266 -4.418 1.00 41.25 H new ATOM 0 HB2 GLN A 19 -5.646 -6.447 -1.922 1.00 14.13 H new ATOM 0 HB3 GLN A 19 -7.268 -5.816 -1.717 1.00 14.13 H new ATOM 0 HG2 GLN A 19 -7.346 -8.221 -1.449 1.00 14.23 H new ATOM 0 HG3 GLN A 19 -8.182 -7.807 -2.932 1.00 14.23 H new ATOM 0 HE21 GLN A 19 -7.076 -8.353 -4.970 1.00 75.35 H new ATOM 0 HE22 GLN A 19 -5.790 -9.564 -4.956 1.00 75.35 H new ATOM 327 N SER A 20 -8.647 -4.466 -3.861 1.00 44.32 N ATOM 328 CA SER A 20 -9.962 -4.074 -4.372 1.00 13.52 C ATOM 329 C SER A 20 -9.846 -3.638 -5.836 1.00 0.32 C ATOM 330 O SER A 20 -10.442 -4.265 -6.693 1.00 1.44 O ATOM 331 CB SER A 20 -10.572 -2.939 -3.518 1.00 72.15 C ATOM 332 OG SER A 20 -10.729 -3.336 -2.162 1.00 73.01 O ATOM 0 H SER A 20 -8.337 -3.908 -3.065 1.00 44.32 H new ATOM 0 HA SER A 20 -10.627 -4.936 -4.310 1.00 13.52 H new ATOM 0 HB2 SER A 20 -9.931 -2.059 -3.569 1.00 72.15 H new ATOM 0 HB3 SER A 20 -11.540 -2.653 -3.929 1.00 72.15 H new ATOM 0 HG SER A 20 -9.847 -3.484 -1.760 1.00 73.01 H new ATOM 338 N LEU A 21 -8.996 -2.615 -6.106 1.00 42.13 N ATOM 339 CA LEU A 21 -8.842 -2.011 -7.447 1.00 14.03 C ATOM 340 C LEU A 21 -8.431 -3.068 -8.492 1.00 53.31 C ATOM 341 O LEU A 21 -8.852 -2.981 -9.645 1.00 34.31 O ATOM 342 CB LEU A 21 -7.810 -0.840 -7.443 1.00 44.31 C ATOM 343 CG LEU A 21 -8.120 0.407 -6.545 1.00 63.15 C ATOM 344 CD1 LEU A 21 -7.061 1.516 -6.754 1.00 14.21 C ATOM 345 CD2 LEU A 21 -9.547 0.950 -6.769 1.00 42.03 C ATOM 0 H LEU A 21 -8.399 -2.188 -5.397 1.00 42.13 H new ATOM 0 HA LEU A 21 -9.816 -1.605 -7.721 1.00 14.03 H new ATOM 0 HB2 LEU A 21 -6.846 -1.244 -7.133 1.00 44.31 H new ATOM 0 HB3 LEU A 21 -7.694 -0.493 -8.470 1.00 44.31 H new ATOM 0 HG LEU A 21 -8.068 0.075 -5.508 1.00 63.15 H new ATOM 0 HD11 LEU A 21 -7.299 2.370 -6.120 1.00 14.21 H new ATOM 0 HD12 LEU A 21 -6.075 1.132 -6.491 1.00 14.21 H new ATOM 0 HD13 LEU A 21 -7.062 1.828 -7.798 1.00 14.21 H new ATOM 0 HD21 LEU A 21 -9.713 1.813 -6.124 1.00 42.03 H new ATOM 0 HD22 LEU A 21 -9.664 1.248 -7.811 1.00 42.03 H new ATOM 0 HD23 LEU A 21 -10.274 0.173 -6.530 1.00 42.03 H new ATOM 357 N LEU A 22 -7.626 -4.072 -8.055 1.00 5.11 N ATOM 358 CA LEU A 22 -7.194 -5.185 -8.916 1.00 21.01 C ATOM 359 C LEU A 22 -8.406 -6.012 -9.366 1.00 53.21 C ATOM 360 O LEU A 22 -8.722 -6.067 -10.575 1.00 13.34 O ATOM 361 CB LEU A 22 -6.153 -6.100 -8.206 1.00 1.03 C ATOM 362 CG LEU A 22 -5.638 -7.315 -9.060 1.00 72.31 C ATOM 363 CD1 LEU A 22 -4.887 -6.843 -10.329 1.00 30.21 C ATOM 364 CD2 LEU A 22 -4.777 -8.279 -8.214 1.00 3.41 C ATOM 0 H LEU A 22 -7.265 -4.125 -7.102 1.00 5.11 H new ATOM 0 HA LEU A 22 -6.709 -4.752 -9.791 1.00 21.01 H new ATOM 0 HB2 LEU A 22 -5.297 -5.492 -7.916 1.00 1.03 H new ATOM 0 HB3 LEU A 22 -6.597 -6.484 -7.288 1.00 1.03 H new ATOM 0 HG LEU A 22 -6.514 -7.871 -9.393 1.00 72.31 H new ATOM 0 HD11 LEU A 22 -4.546 -7.711 -10.894 1.00 30.21 H new ATOM 0 HD12 LEU A 22 -5.558 -6.248 -10.948 1.00 30.21 H new ATOM 0 HD13 LEU A 22 -4.028 -6.238 -10.039 1.00 30.21 H new ATOM 0 HD21 LEU A 22 -4.439 -9.107 -8.837 1.00 3.41 H new ATOM 0 HD22 LEU A 22 -3.913 -7.744 -7.820 1.00 3.41 H new ATOM 0 HD23 LEU A 22 -5.371 -8.667 -7.387 1.00 3.41 H new ATOM 376 N GLU A 23 -9.110 -6.600 -8.367 1.00 32.11 N ATOM 377 CA GLU A 23 -10.267 -7.474 -8.621 1.00 74.52 C ATOM 378 C GLU A 23 -11.346 -6.724 -9.423 1.00 33.15 C ATOM 379 O GLU A 23 -11.801 -7.213 -10.443 1.00 61.23 O ATOM 380 CB GLU A 23 -10.864 -8.007 -7.297 1.00 50.34 C ATOM 381 CG GLU A 23 -9.895 -8.858 -6.439 1.00 70.42 C ATOM 382 CD GLU A 23 -10.527 -9.471 -5.171 1.00 53.10 C ATOM 383 OE1 GLU A 23 -9.854 -10.290 -4.503 1.00 54.20 O ATOM 384 OE2 GLU A 23 -11.698 -9.160 -4.846 1.00 1.15 O ATOM 0 H GLU A 23 -8.891 -6.480 -7.378 1.00 32.11 H new ATOM 0 HA GLU A 23 -9.919 -8.325 -9.207 1.00 74.52 H new ATOM 0 HB2 GLU A 23 -11.204 -7.159 -6.702 1.00 50.34 H new ATOM 0 HB3 GLU A 23 -11.744 -8.607 -7.528 1.00 50.34 H new ATOM 0 HG2 GLU A 23 -9.497 -9.663 -7.056 1.00 70.42 H new ATOM 0 HG3 GLU A 23 -9.051 -8.235 -6.143 1.00 70.42 H new ATOM 391 N LEU A 24 -11.665 -5.499 -8.966 1.00 33.13 N ATOM 392 CA LEU A 24 -12.720 -4.640 -9.539 1.00 54.14 C ATOM 393 C LEU A 24 -12.420 -4.267 -11.004 1.00 53.35 C ATOM 394 O LEU A 24 -13.328 -4.251 -11.830 1.00 35.53 O ATOM 395 CB LEU A 24 -12.905 -3.360 -8.672 1.00 50.03 C ATOM 396 CG LEU A 24 -13.389 -3.589 -7.200 1.00 31.13 C ATOM 397 CD1 LEU A 24 -13.399 -2.268 -6.395 1.00 71.55 C ATOM 398 CD2 LEU A 24 -14.764 -4.293 -7.170 1.00 3.44 C ATOM 0 H LEU A 24 -11.188 -5.070 -8.173 1.00 33.13 H new ATOM 0 HA LEU A 24 -13.651 -5.208 -9.532 1.00 54.14 H new ATOM 0 HB2 LEU A 24 -11.955 -2.826 -8.642 1.00 50.03 H new ATOM 0 HB3 LEU A 24 -13.622 -2.708 -9.171 1.00 50.03 H new ATOM 0 HG LEU A 24 -12.674 -4.252 -6.713 1.00 31.13 H new ATOM 0 HD11 LEU A 24 -13.740 -2.464 -5.378 1.00 71.55 H new ATOM 0 HD12 LEU A 24 -12.392 -1.852 -6.366 1.00 71.55 H new ATOM 0 HD13 LEU A 24 -14.072 -1.556 -6.873 1.00 71.55 H new ATOM 0 HD21 LEU A 24 -15.075 -4.439 -6.136 1.00 3.44 H new ATOM 0 HD22 LEU A 24 -15.500 -3.677 -7.687 1.00 3.44 H new ATOM 0 HD23 LEU A 24 -14.688 -5.260 -7.666 1.00 3.44 H new ATOM 410 N ALA A 25 -11.137 -3.990 -11.316 1.00 53.23 N ATOM 411 CA ALA A 25 -10.690 -3.702 -12.701 1.00 1.30 C ATOM 412 C ALA A 25 -10.955 -4.900 -13.622 1.00 23.34 C ATOM 413 O ALA A 25 -11.461 -4.747 -14.743 1.00 1.52 O ATOM 414 CB ALA A 25 -9.200 -3.348 -12.720 1.00 21.24 C ATOM 0 H ALA A 25 -10.387 -3.959 -10.626 1.00 53.23 H new ATOM 0 HA ALA A 25 -11.261 -2.850 -13.069 1.00 1.30 H new ATOM 0 HB1 ALA A 25 -8.889 -3.140 -13.744 1.00 21.24 H new ATOM 0 HB2 ALA A 25 -9.027 -2.467 -12.102 1.00 21.24 H new ATOM 0 HB3 ALA A 25 -8.622 -4.185 -12.328 1.00 21.24 H new ATOM 420 N GLN A 26 -10.620 -6.096 -13.107 1.00 23.15 N ATOM 421 CA GLN A 26 -10.849 -7.376 -13.810 1.00 70.24 C ATOM 422 C GLN A 26 -12.362 -7.695 -13.930 1.00 34.31 C ATOM 423 O GLN A 26 -12.797 -8.300 -14.911 1.00 33.51 O ATOM 424 CB GLN A 26 -10.113 -8.506 -13.051 1.00 21.32 C ATOM 425 CG GLN A 26 -8.590 -8.271 -12.902 1.00 14.12 C ATOM 426 CD GLN A 26 -7.917 -9.192 -11.885 1.00 12.43 C ATOM 427 OE1 GLN A 26 -8.543 -9.646 -10.923 1.00 53.00 O ATOM 428 NE2 GLN A 26 -6.629 -9.439 -12.058 1.00 21.45 N ATOM 0 H GLN A 26 -10.183 -6.205 -12.192 1.00 23.15 H new ATOM 0 HA GLN A 26 -10.456 -7.296 -14.823 1.00 70.24 H new ATOM 0 HB2 GLN A 26 -10.553 -8.611 -12.060 1.00 21.32 H new ATOM 0 HB3 GLN A 26 -10.276 -9.448 -13.574 1.00 21.32 H new ATOM 0 HG2 GLN A 26 -8.114 -8.409 -13.873 1.00 14.12 H new ATOM 0 HG3 GLN A 26 -8.419 -7.235 -12.608 1.00 14.12 H new ATOM 0 HE21 GLN A 26 -6.139 -9.050 -12.863 1.00 21.45 H new ATOM 0 HE22 GLN A 26 -6.126 -10.019 -11.386 1.00 21.45 H new ATOM 437 N ARG A 27 -13.150 -7.264 -12.923 1.00 44.14 N ATOM 438 CA ARG A 27 -14.623 -7.459 -12.886 1.00 74.11 C ATOM 439 C ARG A 27 -15.338 -6.502 -13.863 1.00 20.40 C ATOM 440 O ARG A 27 -16.489 -6.742 -14.233 1.00 52.41 O ATOM 441 CB ARG A 27 -15.165 -7.221 -11.445 1.00 61.43 C ATOM 442 CG ARG A 27 -14.692 -8.228 -10.374 1.00 13.11 C ATOM 443 CD ARG A 27 -15.159 -7.863 -8.942 1.00 34.21 C ATOM 444 NE ARG A 27 -14.416 -8.607 -7.895 1.00 71.21 N ATOM 445 CZ ARG A 27 -14.646 -9.877 -7.516 1.00 12.21 C ATOM 446 NH1 ARG A 27 -15.606 -10.599 -8.082 1.00 21.40 N ATOM 447 NH2 ARG A 27 -13.909 -10.415 -6.553 1.00 44.40 N ATOM 0 H ARG A 27 -12.786 -6.769 -12.109 1.00 44.14 H new ATOM 0 HA ARG A 27 -14.827 -8.486 -13.189 1.00 74.11 H new ATOM 0 HB2 ARG A 27 -14.874 -6.219 -11.129 1.00 61.43 H new ATOM 0 HB3 ARG A 27 -16.254 -7.241 -11.479 1.00 61.43 H new ATOM 0 HG2 ARG A 27 -15.064 -9.220 -10.628 1.00 13.11 H new ATOM 0 HG3 ARG A 27 -13.603 -8.282 -10.391 1.00 13.11 H new ATOM 0 HD2 ARG A 27 -15.030 -6.792 -8.783 1.00 34.21 H new ATOM 0 HD3 ARG A 27 -16.224 -8.073 -8.846 1.00 34.21 H new ATOM 0 HE ARG A 27 -13.663 -8.110 -7.420 1.00 71.21 H new ATOM 0 HH11 ARG A 27 -16.184 -10.192 -8.817 1.00 21.40 H new ATOM 0 HH12 ARG A 27 -15.766 -11.561 -7.781 1.00 21.40 H new ATOM 0 HH21 ARG A 27 -13.175 -9.866 -6.106 1.00 44.40 H new ATOM 0 HH22 ARG A 27 -14.077 -11.377 -6.260 1.00 44.40 H new ATOM 461 N GLY A 28 -14.646 -5.410 -14.255 1.00 32.04 N ATOM 462 CA GLY A 28 -15.220 -4.370 -15.115 1.00 52.33 C ATOM 463 C GLY A 28 -15.805 -3.205 -14.321 1.00 22.24 C ATOM 464 O GLY A 28 -16.401 -2.290 -14.899 1.00 71.22 O ATOM 0 H GLY A 28 -13.679 -5.232 -13.982 1.00 32.04 H new ATOM 0 HA2 GLY A 28 -14.449 -3.995 -15.788 1.00 52.33 H new ATOM 0 HA3 GLY A 28 -16.000 -4.809 -15.737 1.00 52.33 H new ATOM 468 N GLU A 29 -15.612 -3.232 -12.989 1.00 3.11 N ATOM 469 CA GLU A 29 -16.085 -2.184 -12.064 1.00 31.35 C ATOM 470 C GLU A 29 -15.084 -1.002 -12.024 1.00 20.20 C ATOM 471 O GLU A 29 -14.645 -0.573 -10.944 1.00 33.41 O ATOM 472 CB GLU A 29 -16.289 -2.773 -10.627 1.00 14.32 C ATOM 473 CG GLU A 29 -16.936 -4.169 -10.551 1.00 31.30 C ATOM 474 CD GLU A 29 -18.304 -4.272 -11.250 1.00 52.34 C ATOM 475 OE1 GLU A 29 -18.390 -4.872 -12.352 1.00 24.04 O ATOM 476 OE2 GLU A 29 -19.298 -3.762 -10.701 1.00 71.03 O ATOM 0 H GLU A 29 -15.118 -3.991 -12.519 1.00 3.11 H new ATOM 0 HA GLU A 29 -17.044 -1.813 -12.427 1.00 31.35 H new ATOM 0 HB2 GLU A 29 -15.318 -2.818 -10.134 1.00 14.32 H new ATOM 0 HB3 GLU A 29 -16.905 -2.078 -10.056 1.00 14.32 H new ATOM 0 HG2 GLU A 29 -16.257 -4.896 -10.997 1.00 31.30 H new ATOM 0 HG3 GLU A 29 -17.055 -4.445 -9.503 1.00 31.30 H new ATOM 483 N TRP A 30 -14.744 -0.467 -13.216 1.00 24.33 N ATOM 484 CA TRP A 30 -13.790 0.645 -13.367 1.00 5.35 C ATOM 485 C TRP A 30 -14.340 1.940 -12.765 1.00 71.43 C ATOM 486 O TRP A 30 -13.558 2.814 -12.405 1.00 53.11 O ATOM 487 CB TRP A 30 -13.411 0.865 -14.852 1.00 1.43 C ATOM 488 CG TRP A 30 -12.651 -0.281 -15.471 1.00 45.51 C ATOM 489 CD1 TRP A 30 -13.161 -1.353 -16.153 1.00 62.24 C ATOM 490 CD2 TRP A 30 -11.230 -0.463 -15.456 1.00 30.54 C ATOM 491 NE1 TRP A 30 -12.143 -2.172 -16.563 1.00 64.15 N ATOM 492 CE2 TRP A 30 -10.952 -1.651 -16.150 1.00 3.42 C ATOM 493 CE3 TRP A 30 -10.166 0.276 -14.935 1.00 34.34 C ATOM 494 CZ2 TRP A 30 -9.657 -2.117 -16.341 1.00 22.25 C ATOM 495 CZ3 TRP A 30 -8.883 -0.196 -15.106 1.00 15.51 C ATOM 496 CH2 TRP A 30 -8.637 -1.381 -15.808 1.00 11.31 C ATOM 0 H TRP A 30 -15.127 -0.798 -14.102 1.00 24.33 H new ATOM 0 HA TRP A 30 -12.889 0.369 -12.819 1.00 5.35 H new ATOM 0 HB2 TRP A 30 -14.321 1.035 -15.427 1.00 1.43 H new ATOM 0 HB3 TRP A 30 -12.810 1.771 -14.932 1.00 1.43 H new ATOM 0 HD1 TRP A 30 -14.210 -1.527 -16.340 1.00 62.24 H new ATOM 0 HE1 TRP A 30 -12.257 -3.036 -17.094 1.00 64.15 H new ATOM 0 HE3 TRP A 30 -10.346 1.201 -14.407 1.00 34.34 H new ATOM 0 HZ2 TRP A 30 -9.464 -3.027 -16.890 1.00 22.25 H new ATOM 0 HZ3 TRP A 30 -8.054 0.358 -14.691 1.00 15.51 H new ATOM 0 HH2 TRP A 30 -7.619 -1.721 -15.931 1.00 11.31 H new ATOM 507 N ASP A 31 -15.685 2.041 -12.662 1.00 30.45 N ATOM 508 CA ASP A 31 -16.374 3.141 -11.956 1.00 62.42 C ATOM 509 C ASP A 31 -15.843 3.259 -10.515 1.00 3.21 C ATOM 510 O ASP A 31 -15.502 4.350 -10.043 1.00 4.04 O ATOM 511 CB ASP A 31 -17.909 2.895 -11.916 1.00 71.04 C ATOM 512 CG ASP A 31 -18.553 2.770 -13.311 1.00 3.35 C ATOM 513 OD1 ASP A 31 -18.879 3.809 -13.923 1.00 74.22 O ATOM 514 OD2 ASP A 31 -18.734 1.632 -13.797 1.00 33.05 O ATOM 0 H ASP A 31 -16.324 1.358 -13.069 1.00 30.45 H new ATOM 0 HA ASP A 31 -16.177 4.066 -12.498 1.00 62.42 H new ATOM 0 HB2 ASP A 31 -18.107 1.984 -11.351 1.00 71.04 H new ATOM 0 HB3 ASP A 31 -18.385 3.714 -11.378 1.00 71.04 H new ATOM 519 N LEU A 32 -15.750 2.092 -9.847 1.00 4.31 N ATOM 520 CA LEU A 32 -15.230 1.982 -8.480 1.00 75.05 C ATOM 521 C LEU A 32 -13.753 2.409 -8.421 1.00 53.34 C ATOM 522 O LEU A 32 -13.341 3.006 -7.446 1.00 13.11 O ATOM 523 CB LEU A 32 -15.442 0.545 -7.927 1.00 71.42 C ATOM 524 CG LEU A 32 -16.935 0.125 -7.686 1.00 14.11 C ATOM 525 CD1 LEU A 32 -17.042 -1.346 -7.233 1.00 71.41 C ATOM 526 CD2 LEU A 32 -17.617 1.060 -6.659 1.00 71.02 C ATOM 0 H LEU A 32 -16.036 1.198 -10.247 1.00 4.31 H new ATOM 0 HA LEU A 32 -15.789 2.664 -7.839 1.00 75.05 H new ATOM 0 HB2 LEU A 32 -14.992 -0.163 -8.623 1.00 71.42 H new ATOM 0 HB3 LEU A 32 -14.901 0.454 -6.985 1.00 71.42 H new ATOM 0 HG LEU A 32 -17.457 0.222 -8.638 1.00 14.11 H new ATOM 0 HD11 LEU A 32 -18.089 -1.603 -7.075 1.00 71.41 H new ATOM 0 HD12 LEU A 32 -16.621 -1.995 -8.001 1.00 71.41 H new ATOM 0 HD13 LEU A 32 -16.491 -1.481 -6.302 1.00 71.41 H new ATOM 0 HD21 LEU A 32 -18.650 0.746 -6.511 1.00 71.02 H new ATOM 0 HD22 LEU A 32 -17.083 1.009 -5.710 1.00 71.02 H new ATOM 0 HD23 LEU A 32 -17.599 2.084 -7.031 1.00 71.02 H new ATOM 538 N LEU A 33 -12.970 2.143 -9.493 1.00 61.45 N ATOM 539 CA LEU A 33 -11.567 2.632 -9.577 1.00 73.23 C ATOM 540 C LEU A 33 -11.519 4.166 -9.723 1.00 54.11 C ATOM 541 O LEU A 33 -10.686 4.802 -9.093 1.00 61.34 O ATOM 542 CB LEU A 33 -10.747 1.950 -10.722 1.00 71.42 C ATOM 543 CG LEU A 33 -10.235 0.497 -10.428 1.00 73.31 C ATOM 544 CD1 LEU A 33 -11.365 -0.547 -10.507 1.00 52.21 C ATOM 545 CD2 LEU A 33 -9.040 0.125 -11.333 1.00 61.42 C ATOM 0 H LEU A 33 -13.276 1.602 -10.301 1.00 61.45 H new ATOM 0 HA LEU A 33 -11.094 2.350 -8.636 1.00 73.23 H new ATOM 0 HB2 LEU A 33 -11.366 1.921 -11.618 1.00 71.42 H new ATOM 0 HB3 LEU A 33 -9.886 2.578 -10.950 1.00 71.42 H new ATOM 0 HG LEU A 33 -9.878 0.487 -9.398 1.00 73.31 H new ATOM 0 HD11 LEU A 33 -10.961 -1.537 -10.296 1.00 52.21 H new ATOM 0 HD12 LEU A 33 -12.135 -0.306 -9.774 1.00 52.21 H new ATOM 0 HD13 LEU A 33 -11.800 -0.538 -11.507 1.00 52.21 H new ATOM 0 HD21 LEU A 33 -8.711 -0.888 -11.103 1.00 61.42 H new ATOM 0 HD22 LEU A 33 -9.345 0.179 -12.378 1.00 61.42 H new ATOM 0 HD23 LEU A 33 -8.220 0.822 -11.158 1.00 61.42 H new ATOM 557 N LEU A 34 -12.441 4.739 -10.526 1.00 22.32 N ATOM 558 CA LEU A 34 -12.493 6.198 -10.807 1.00 62.51 C ATOM 559 C LEU A 34 -12.816 7.008 -9.536 1.00 43.51 C ATOM 560 O LEU A 34 -12.282 8.109 -9.336 1.00 51.22 O ATOM 561 CB LEU A 34 -13.545 6.509 -11.914 1.00 33.12 C ATOM 562 CG LEU A 34 -13.307 5.838 -13.310 1.00 52.54 C ATOM 563 CD1 LEU A 34 -14.447 6.173 -14.299 1.00 33.15 C ATOM 564 CD2 LEU A 34 -11.925 6.213 -13.894 1.00 61.03 C ATOM 0 H LEU A 34 -13.172 4.207 -10.999 1.00 22.32 H new ATOM 0 HA LEU A 34 -11.506 6.496 -11.160 1.00 62.51 H new ATOM 0 HB2 LEU A 34 -14.525 6.201 -11.550 1.00 33.12 H new ATOM 0 HB3 LEU A 34 -13.582 7.589 -12.056 1.00 33.12 H new ATOM 0 HG LEU A 34 -13.312 4.759 -13.156 1.00 52.54 H new ATOM 0 HD11 LEU A 34 -14.251 5.692 -15.257 1.00 33.15 H new ATOM 0 HD12 LEU A 34 -15.394 5.811 -13.899 1.00 33.15 H new ATOM 0 HD13 LEU A 34 -14.501 7.253 -14.439 1.00 33.15 H new ATOM 0 HD21 LEU A 34 -11.796 5.729 -14.862 1.00 61.03 H new ATOM 0 HD22 LEU A 34 -11.863 7.294 -14.017 1.00 61.03 H new ATOM 0 HD23 LEU A 34 -11.140 5.880 -13.215 1.00 61.03 H new ATOM 576 N GLN A 35 -13.716 6.460 -8.698 1.00 64.53 N ATOM 577 CA GLN A 35 -14.087 7.074 -7.409 1.00 50.12 C ATOM 578 C GLN A 35 -12.994 6.825 -6.355 1.00 41.22 C ATOM 579 O GLN A 35 -12.431 7.781 -5.810 1.00 11.43 O ATOM 580 CB GLN A 35 -15.471 6.553 -6.914 1.00 34.22 C ATOM 581 CG GLN A 35 -16.704 7.258 -7.533 1.00 64.34 C ATOM 582 CD GLN A 35 -16.858 7.085 -9.050 1.00 34.12 C ATOM 583 OE1 GLN A 35 -17.514 6.155 -9.516 1.00 2.21 O ATOM 584 NE2 GLN A 35 -16.258 7.973 -9.832 1.00 12.42 N ATOM 0 H GLN A 35 -14.203 5.586 -8.893 1.00 64.53 H new ATOM 0 HA GLN A 35 -14.175 8.150 -7.561 1.00 50.12 H new ATOM 0 HB2 GLN A 35 -15.537 5.486 -7.129 1.00 34.22 H new ATOM 0 HB3 GLN A 35 -15.516 6.663 -5.831 1.00 34.22 H new ATOM 0 HG2 GLN A 35 -17.603 6.879 -7.046 1.00 64.34 H new ATOM 0 HG3 GLN A 35 -16.645 8.323 -7.308 1.00 64.34 H new ATOM 0 HE21 GLN A 35 -15.720 8.735 -9.419 1.00 12.42 H new ATOM 0 HE22 GLN A 35 -16.335 7.894 -10.846 1.00 12.42 H new ATOM 593 N GLN A 36 -12.669 5.538 -6.109 1.00 14.40 N ATOM 594 CA GLN A 36 -11.715 5.137 -5.046 1.00 43.40 C ATOM 595 C GLN A 36 -10.275 5.601 -5.337 1.00 11.20 C ATOM 596 O GLN A 36 -9.445 5.542 -4.439 1.00 20.12 O ATOM 597 CB GLN A 36 -11.738 3.598 -4.789 1.00 14.44 C ATOM 598 CG GLN A 36 -13.117 3.014 -4.387 1.00 41.14 C ATOM 599 CD GLN A 36 -13.723 3.603 -3.110 1.00 13.33 C ATOM 600 OE1 GLN A 36 -13.015 4.006 -2.193 1.00 43.00 O ATOM 601 NE2 GLN A 36 -15.045 3.647 -3.038 1.00 50.15 N ATOM 0 H GLN A 36 -13.054 4.753 -6.634 1.00 14.40 H new ATOM 0 HA GLN A 36 -12.053 5.643 -4.142 1.00 43.40 H new ATOM 0 HB2 GLN A 36 -11.396 3.090 -5.691 1.00 14.44 H new ATOM 0 HB3 GLN A 36 -11.021 3.367 -4.002 1.00 14.44 H new ATOM 0 HG2 GLN A 36 -13.815 3.173 -5.209 1.00 41.14 H new ATOM 0 HG3 GLN A 36 -13.015 1.936 -4.259 1.00 41.14 H new ATOM 0 HE21 GLN A 36 -15.610 3.305 -3.815 1.00 50.15 H new ATOM 0 HE22 GLN A 36 -15.498 4.023 -2.205 1.00 50.15 H new ATOM 610 N GLU A 37 -9.989 6.018 -6.595 1.00 61.23 N ATOM 611 CA GLU A 37 -8.678 6.579 -6.996 1.00 50.22 C ATOM 612 C GLU A 37 -8.259 7.739 -6.072 1.00 54.24 C ATOM 613 O GLU A 37 -7.224 7.661 -5.418 1.00 40.22 O ATOM 614 CB GLU A 37 -8.720 7.063 -8.475 1.00 42.41 C ATOM 615 CG GLU A 37 -7.390 7.638 -9.002 1.00 24.21 C ATOM 616 CD GLU A 37 -7.432 8.049 -10.479 1.00 71.04 C ATOM 617 OE1 GLU A 37 -8.303 8.867 -10.847 1.00 53.33 O ATOM 618 OE2 GLU A 37 -6.567 7.605 -11.271 1.00 74.55 O ATOM 0 H GLU A 37 -10.663 5.974 -7.360 1.00 61.23 H new ATOM 0 HA GLU A 37 -7.936 5.786 -6.904 1.00 50.22 H new ATOM 0 HB2 GLU A 37 -9.015 6.227 -9.109 1.00 42.41 H new ATOM 0 HB3 GLU A 37 -9.493 7.825 -8.572 1.00 42.41 H new ATOM 0 HG2 GLU A 37 -7.117 8.506 -8.401 1.00 24.21 H new ATOM 0 HG3 GLU A 37 -6.604 6.895 -8.864 1.00 24.21 H new ATOM 625 N VAL A 38 -9.114 8.779 -5.995 1.00 3.44 N ATOM 626 CA VAL A 38 -8.825 10.022 -5.241 1.00 13.12 C ATOM 627 C VAL A 38 -8.515 9.719 -3.752 1.00 60.11 C ATOM 628 O VAL A 38 -7.541 10.236 -3.197 1.00 10.11 O ATOM 629 CB VAL A 38 -10.022 11.050 -5.344 1.00 45.32 C ATOM 630 CG1 VAL A 38 -9.719 12.370 -4.587 1.00 70.22 C ATOM 631 CG2 VAL A 38 -10.399 11.328 -6.821 1.00 25.41 C ATOM 0 H VAL A 38 -10.025 8.784 -6.453 1.00 3.44 H new ATOM 0 HA VAL A 38 -7.942 10.473 -5.694 1.00 13.12 H new ATOM 0 HB VAL A 38 -10.882 10.589 -4.859 1.00 45.32 H new ATOM 0 HG11 VAL A 38 -10.567 13.048 -4.684 1.00 70.22 H new ATOM 0 HG12 VAL A 38 -9.546 12.153 -3.533 1.00 70.22 H new ATOM 0 HG13 VAL A 38 -8.831 12.838 -5.012 1.00 70.22 H new ATOM 0 HG21 VAL A 38 -11.225 12.038 -6.858 1.00 25.41 H new ATOM 0 HG22 VAL A 38 -9.538 11.745 -7.344 1.00 25.41 H new ATOM 0 HG23 VAL A 38 -10.699 10.397 -7.301 1.00 25.41 H new ATOM 641 N SER A 39 -9.326 8.830 -3.152 1.00 63.14 N ATOM 642 CA SER A 39 -9.250 8.492 -1.716 1.00 35.22 C ATOM 643 C SER A 39 -8.042 7.588 -1.389 1.00 1.14 C ATOM 644 O SER A 39 -7.321 7.838 -0.410 1.00 52.12 O ATOM 645 CB SER A 39 -10.570 7.822 -1.294 1.00 14.33 C ATOM 646 OG SER A 39 -10.920 6.774 -2.184 1.00 33.23 O ATOM 0 H SER A 39 -10.057 8.322 -3.650 1.00 63.14 H new ATOM 0 HA SER A 39 -9.103 9.412 -1.151 1.00 35.22 H new ATOM 0 HB2 SER A 39 -10.473 7.427 -0.283 1.00 14.33 H new ATOM 0 HB3 SER A 39 -11.367 8.565 -1.271 1.00 14.33 H new ATOM 0 HG SER A 39 -11.761 6.364 -1.892 1.00 33.23 H new ATOM 652 N TYR A 40 -7.841 6.548 -2.222 1.00 52.55 N ATOM 653 CA TYR A 40 -6.737 5.570 -2.076 1.00 53.52 C ATOM 654 C TYR A 40 -5.379 6.257 -2.225 1.00 14.55 C ATOM 655 O TYR A 40 -4.437 5.978 -1.469 1.00 4.32 O ATOM 656 CB TYR A 40 -6.890 4.429 -3.133 1.00 31.11 C ATOM 657 CG TYR A 40 -5.660 3.507 -3.319 1.00 73.54 C ATOM 658 CD1 TYR A 40 -5.158 2.732 -2.275 1.00 22.01 C ATOM 659 CD2 TYR A 40 -5.007 3.414 -4.555 1.00 20.52 C ATOM 660 CE1 TYR A 40 -4.064 1.909 -2.455 1.00 23.22 C ATOM 661 CE2 TYR A 40 -3.910 2.589 -4.733 1.00 34.05 C ATOM 662 CZ TYR A 40 -3.443 1.841 -3.678 1.00 31.31 C ATOM 663 OH TYR A 40 -2.351 1.014 -3.847 1.00 23.54 O ATOM 0 H TYR A 40 -8.444 6.359 -3.023 1.00 52.55 H new ATOM 0 HA TYR A 40 -6.789 5.136 -1.077 1.00 53.52 H new ATOM 0 HB2 TYR A 40 -7.743 3.811 -2.851 1.00 31.11 H new ATOM 0 HB3 TYR A 40 -7.129 4.882 -4.095 1.00 31.11 H new ATOM 0 HD1 TYR A 40 -5.634 2.776 -1.307 1.00 22.01 H new ATOM 0 HD2 TYR A 40 -5.368 3.999 -5.388 1.00 20.52 H new ATOM 0 HE1 TYR A 40 -3.695 1.316 -1.631 1.00 23.22 H new ATOM 0 HE2 TYR A 40 -3.423 2.533 -5.696 1.00 34.05 H new ATOM 0 HH TYR A 40 -2.106 0.616 -2.986 1.00 23.54 H new ATOM 673 N LEU A 41 -5.291 7.151 -3.213 1.00 40.42 N ATOM 674 CA LEU A 41 -4.050 7.839 -3.540 1.00 64.33 C ATOM 675 C LEU A 41 -3.778 8.975 -2.565 1.00 43.52 C ATOM 676 O LEU A 41 -2.625 9.246 -2.265 1.00 31.52 O ATOM 677 CB LEU A 41 -4.055 8.307 -5.002 1.00 4.53 C ATOM 678 CG LEU A 41 -4.200 7.149 -6.040 1.00 33.31 C ATOM 679 CD1 LEU A 41 -4.216 7.692 -7.464 1.00 24.43 C ATOM 680 CD2 LEU A 41 -3.106 6.070 -5.865 1.00 33.01 C ATOM 0 H LEU A 41 -6.079 7.414 -3.805 1.00 40.42 H new ATOM 0 HA LEU A 41 -3.226 7.134 -3.434 1.00 64.33 H new ATOM 0 HB2 LEU A 41 -4.873 9.013 -5.144 1.00 4.53 H new ATOM 0 HB3 LEU A 41 -3.130 8.847 -5.203 1.00 4.53 H new ATOM 0 HG LEU A 41 -5.158 6.664 -5.850 1.00 33.31 H new ATOM 0 HD11 LEU A 41 -4.318 6.866 -8.167 1.00 24.43 H new ATOM 0 HD12 LEU A 41 -5.057 8.376 -7.583 1.00 24.43 H new ATOM 0 HD13 LEU A 41 -3.285 8.224 -7.661 1.00 24.43 H new ATOM 0 HD21 LEU A 41 -3.247 5.285 -6.608 1.00 33.01 H new ATOM 0 HD22 LEU A 41 -2.124 6.523 -5.998 1.00 33.01 H new ATOM 0 HD23 LEU A 41 -3.175 5.640 -4.866 1.00 33.01 H new ATOM 692 N GLN A 42 -4.845 9.610 -2.036 1.00 25.41 N ATOM 693 CA GLN A 42 -4.712 10.573 -0.925 1.00 22.22 C ATOM 694 C GLN A 42 -4.084 9.855 0.282 1.00 52.30 C ATOM 695 O GLN A 42 -3.160 10.384 0.906 1.00 12.24 O ATOM 696 CB GLN A 42 -6.091 11.212 -0.581 1.00 15.54 C ATOM 697 CG GLN A 42 -6.074 12.366 0.463 1.00 32.34 C ATOM 698 CD GLN A 42 -5.972 11.912 1.929 1.00 11.32 C ATOM 699 OE1 GLN A 42 -6.456 10.843 2.306 1.00 71.15 O ATOM 700 NE2 GLN A 42 -5.362 12.722 2.764 1.00 34.52 N ATOM 0 H GLN A 42 -5.803 9.474 -2.359 1.00 25.41 H new ATOM 0 HA GLN A 42 -4.056 11.393 -1.217 1.00 22.22 H new ATOM 0 HB2 GLN A 42 -6.532 11.591 -1.503 1.00 15.54 H new ATOM 0 HB3 GLN A 42 -6.750 10.426 -0.212 1.00 15.54 H new ATOM 0 HG2 GLN A 42 -5.233 13.024 0.242 1.00 32.34 H new ATOM 0 HG3 GLN A 42 -6.982 12.958 0.344 1.00 32.34 H new ATOM 0 HE21 GLN A 42 -4.970 13.601 2.427 1.00 34.52 H new ATOM 0 HE22 GLN A 42 -5.280 12.472 3.749 1.00 34.52 H new ATOM 709 N SER A 43 -4.570 8.622 0.553 1.00 72.33 N ATOM 710 CA SER A 43 -4.063 7.784 1.647 1.00 13.12 C ATOM 711 C SER A 43 -2.564 7.469 1.457 1.00 71.43 C ATOM 712 O SER A 43 -1.764 7.801 2.321 1.00 44.14 O ATOM 713 CB SER A 43 -4.894 6.482 1.767 1.00 41.31 C ATOM 714 OG SER A 43 -6.257 6.767 2.053 1.00 0.30 O ATOM 0 H SER A 43 -5.322 8.188 0.018 1.00 72.33 H new ATOM 0 HA SER A 43 -4.168 8.342 2.578 1.00 13.12 H new ATOM 0 HB2 SER A 43 -4.825 5.917 0.838 1.00 41.31 H new ATOM 0 HB3 SER A 43 -4.478 5.853 2.554 1.00 41.31 H new ATOM 0 HG SER A 43 -6.692 7.125 1.251 1.00 0.30 H new ATOM 720 N ILE A 44 -2.190 6.901 0.291 1.00 24.22 N ATOM 721 CA ILE A 44 -0.812 6.408 0.036 1.00 1.35 C ATOM 722 C ILE A 44 0.219 7.568 0.022 1.00 23.32 C ATOM 723 O ILE A 44 1.359 7.402 0.495 1.00 23.41 O ATOM 724 CB ILE A 44 -0.757 5.551 -1.293 1.00 65.14 C ATOM 725 CG1 ILE A 44 0.551 4.716 -1.411 1.00 14.45 C ATOM 726 CG2 ILE A 44 -0.935 6.424 -2.553 1.00 73.23 C ATOM 727 CD1 ILE A 44 0.538 3.715 -2.560 1.00 74.00 C ATOM 0 H ILE A 44 -2.825 6.770 -0.496 1.00 24.22 H new ATOM 0 HA ILE A 44 -0.534 5.753 0.861 1.00 1.35 H new ATOM 0 HB ILE A 44 -1.596 4.858 -1.229 1.00 65.14 H new ATOM 0 HG12 ILE A 44 1.394 5.395 -1.542 1.00 14.45 H new ATOM 0 HG13 ILE A 44 0.715 4.180 -0.476 1.00 14.45 H new ATOM 0 HG21 ILE A 44 -0.890 5.794 -3.441 1.00 73.23 H new ATOM 0 HG22 ILE A 44 -1.901 6.928 -2.513 1.00 73.23 H new ATOM 0 HG23 ILE A 44 -0.140 7.168 -2.596 1.00 73.23 H new ATOM 0 HD11 ILE A 44 1.482 3.171 -2.579 1.00 74.00 H new ATOM 0 HD12 ILE A 44 -0.284 3.012 -2.421 1.00 74.00 H new ATOM 0 HD13 ILE A 44 0.406 4.245 -3.503 1.00 74.00 H new ATOM 739 N GLU A 45 -0.213 8.752 -0.479 1.00 52.45 N ATOM 740 CA GLU A 45 0.573 9.999 -0.414 1.00 4.43 C ATOM 741 C GLU A 45 0.829 10.380 1.058 1.00 1.53 C ATOM 742 O GLU A 45 1.976 10.600 1.448 1.00 33.11 O ATOM 743 CB GLU A 45 -0.164 11.157 -1.149 1.00 44.20 C ATOM 744 CG GLU A 45 -0.237 11.034 -2.688 1.00 23.51 C ATOM 745 CD GLU A 45 1.095 11.317 -3.407 1.00 54.03 C ATOM 746 OE1 GLU A 45 1.427 12.510 -3.586 1.00 63.35 O ATOM 747 OE2 GLU A 45 1.803 10.367 -3.800 1.00 13.11 O ATOM 0 H GLU A 45 -1.117 8.864 -0.938 1.00 52.45 H new ATOM 0 HA GLU A 45 1.528 9.833 -0.913 1.00 4.43 H new ATOM 0 HB2 GLU A 45 -1.180 11.222 -0.759 1.00 44.20 H new ATOM 0 HB3 GLU A 45 0.333 12.095 -0.901 1.00 44.20 H new ATOM 0 HG2 GLU A 45 -0.570 10.029 -2.946 1.00 23.51 H new ATOM 0 HG3 GLU A 45 -0.993 11.725 -3.061 1.00 23.51 H new ATOM 754 N THR A 46 -0.266 10.396 1.863 1.00 72.31 N ATOM 755 CA THR A 46 -0.231 10.681 3.316 1.00 63.31 C ATOM 756 C THR A 46 0.764 9.753 4.053 1.00 11.42 C ATOM 757 O THR A 46 1.491 10.199 4.938 1.00 31.12 O ATOM 758 CB THR A 46 -1.673 10.539 3.938 1.00 13.15 C ATOM 759 OG1 THR A 46 -2.562 11.491 3.334 1.00 1.12 O ATOM 760 CG2 THR A 46 -1.708 10.734 5.463 1.00 44.05 C ATOM 0 H THR A 46 -1.206 10.209 1.514 1.00 72.31 H new ATOM 0 HA THR A 46 0.112 11.708 3.444 1.00 63.31 H new ATOM 0 HB THR A 46 -1.990 9.516 3.733 1.00 13.15 H new ATOM 0 HG1 THR A 46 -2.954 11.104 2.523 1.00 1.12 H new ATOM 0 HG21 THR A 46 -2.732 10.622 5.821 1.00 44.05 H new ATOM 0 HG22 THR A 46 -1.073 9.987 5.940 1.00 44.05 H new ATOM 0 HG23 THR A 46 -1.344 11.731 5.711 1.00 44.05 H new ATOM 768 N VAL A 47 0.801 8.475 3.632 1.00 31.25 N ATOM 769 CA VAL A 47 1.658 7.431 4.233 1.00 24.41 C ATOM 770 C VAL A 47 3.146 7.693 3.949 1.00 44.14 C ATOM 771 O VAL A 47 3.982 7.589 4.858 1.00 22.05 O ATOM 772 CB VAL A 47 1.247 6.006 3.704 1.00 75.40 C ATOM 773 CG1 VAL A 47 2.160 4.878 4.261 1.00 11.11 C ATOM 774 CG2 VAL A 47 -0.241 5.741 4.024 1.00 52.11 C ATOM 0 H VAL A 47 0.232 8.133 2.858 1.00 31.25 H new ATOM 0 HA VAL A 47 1.510 7.464 5.312 1.00 24.41 H new ATOM 0 HB VAL A 47 1.385 5.997 2.623 1.00 75.40 H new ATOM 0 HG11 VAL A 47 1.833 3.917 3.865 1.00 11.11 H new ATOM 0 HG12 VAL A 47 3.191 5.063 3.960 1.00 11.11 H new ATOM 0 HG13 VAL A 47 2.097 4.863 5.349 1.00 11.11 H new ATOM 0 HG21 VAL A 47 -0.522 4.754 3.657 1.00 52.11 H new ATOM 0 HG22 VAL A 47 -0.395 5.784 5.102 1.00 52.11 H new ATOM 0 HG23 VAL A 47 -0.858 6.498 3.539 1.00 52.11 H new ATOM 784 N MET A 48 3.461 8.041 2.684 1.00 55.44 N ATOM 785 CA MET A 48 4.847 8.362 2.269 1.00 42.23 C ATOM 786 C MET A 48 5.341 9.665 2.928 1.00 70.52 C ATOM 787 O MET A 48 6.533 9.795 3.230 1.00 64.52 O ATOM 788 CB MET A 48 4.964 8.423 0.717 1.00 73.55 C ATOM 789 CG MET A 48 4.805 7.058 0.026 1.00 53.42 C ATOM 790 SD MET A 48 4.959 7.150 -1.775 1.00 65.45 S ATOM 791 CE MET A 48 3.426 7.957 -2.235 1.00 14.00 C ATOM 0 H MET A 48 2.776 8.108 1.931 1.00 55.44 H new ATOM 0 HA MET A 48 5.496 7.558 2.617 1.00 42.23 H new ATOM 0 HB2 MET A 48 4.206 9.105 0.332 1.00 73.55 H new ATOM 0 HB3 MET A 48 5.934 8.843 0.452 1.00 73.55 H new ATOM 0 HG2 MET A 48 5.557 6.371 0.414 1.00 53.42 H new ATOM 0 HG3 MET A 48 3.831 6.640 0.280 1.00 53.42 H new ATOM 0 HE1 MET A 48 3.296 7.903 -3.316 1.00 14.00 H new ATOM 0 HE2 MET A 48 2.591 7.458 -1.744 1.00 14.00 H new ATOM 0 HE3 MET A 48 3.458 9.002 -1.925 1.00 14.00 H new ATOM 801 N GLU A 49 4.404 10.603 3.177 1.00 34.22 N ATOM 802 CA GLU A 49 4.677 11.862 3.907 1.00 41.52 C ATOM 803 C GLU A 49 4.893 11.594 5.403 1.00 44.23 C ATOM 804 O GLU A 49 5.654 12.305 6.062 1.00 22.20 O ATOM 805 CB GLU A 49 3.495 12.857 3.739 1.00 33.54 C ATOM 806 CG GLU A 49 3.277 13.370 2.304 1.00 53.55 C ATOM 807 CD GLU A 49 2.041 14.273 2.183 1.00 14.03 C ATOM 808 OE1 GLU A 49 2.187 15.515 2.175 1.00 60.32 O ATOM 809 OE2 GLU A 49 0.910 13.744 2.124 1.00 12.31 O ATOM 0 H GLU A 49 3.433 10.510 2.877 1.00 34.22 H new ATOM 0 HA GLU A 49 5.584 12.296 3.486 1.00 41.52 H new ATOM 0 HB2 GLU A 49 2.580 12.372 4.078 1.00 33.54 H new ATOM 0 HB3 GLU A 49 3.664 13.712 4.393 1.00 33.54 H new ATOM 0 HG2 GLU A 49 4.159 13.923 1.981 1.00 53.55 H new ATOM 0 HG3 GLU A 49 3.169 12.520 1.630 1.00 53.55 H new ATOM 816 N LYS A 50 4.214 10.554 5.920 1.00 42.11 N ATOM 817 CA LYS A 50 4.113 10.297 7.368 1.00 24.42 C ATOM 818 C LYS A 50 5.379 9.621 7.919 1.00 21.34 C ATOM 819 O LYS A 50 6.161 9.017 7.171 1.00 3.42 O ATOM 820 CB LYS A 50 2.847 9.432 7.679 1.00 2.42 C ATOM 821 CG LYS A 50 2.174 9.742 9.041 1.00 44.01 C ATOM 822 CD LYS A 50 1.679 11.205 9.148 1.00 22.31 C ATOM 823 CE LYS A 50 0.641 11.563 8.067 1.00 4.34 C ATOM 824 NZ LYS A 50 0.283 13.003 8.085 1.00 3.32 N ATOM 0 H LYS A 50 3.721 9.869 5.347 1.00 42.11 H new ATOM 0 HA LYS A 50 4.015 11.260 7.868 1.00 24.42 H new ATOM 0 HB2 LYS A 50 2.116 9.582 6.885 1.00 2.42 H new ATOM 0 HB3 LYS A 50 3.128 8.379 7.659 1.00 2.42 H new ATOM 0 HG2 LYS A 50 1.331 9.067 9.186 1.00 44.01 H new ATOM 0 HG3 LYS A 50 2.883 9.544 9.845 1.00 44.01 H new ATOM 0 HD2 LYS A 50 1.241 11.365 10.133 1.00 22.31 H new ATOM 0 HD3 LYS A 50 2.531 11.879 9.065 1.00 22.31 H new ATOM 0 HE2 LYS A 50 1.037 11.302 7.086 1.00 4.34 H new ATOM 0 HE3 LYS A 50 -0.258 10.965 8.218 1.00 4.34 H new ATOM 0 HZ1 LYS A 50 -0.418 13.196 7.341 1.00 3.32 H new ATOM 0 HZ2 LYS A 50 -0.120 13.249 9.012 1.00 3.32 H new ATOM 0 HZ3 LYS A 50 1.135 13.575 7.915 1.00 3.32 H new ATOM 838 N GLN A 51 5.548 9.722 9.245 1.00 2.01 N ATOM 839 CA GLN A 51 6.718 9.204 9.957 1.00 25.11 C ATOM 840 C GLN A 51 6.570 7.697 10.228 1.00 3.51 C ATOM 841 O GLN A 51 5.561 7.259 10.803 1.00 64.30 O ATOM 842 CB GLN A 51 6.892 9.970 11.292 1.00 43.12 C ATOM 843 CG GLN A 51 8.123 9.554 12.126 1.00 0.34 C ATOM 844 CD GLN A 51 8.314 10.352 13.423 1.00 51.44 C ATOM 845 OE1 GLN A 51 7.948 11.629 13.428 1.00 33.54 O flip ATOM 846 NE2 GLN A 51 8.818 9.825 14.412 1.00 31.51 N flip ATOM 0 H GLN A 51 4.867 10.171 9.857 1.00 2.01 H new ATOM 0 HA GLN A 51 7.601 9.352 9.335 1.00 25.11 H new ATOM 0 HB2 GLN A 51 6.962 11.036 11.076 1.00 43.12 H new ATOM 0 HB3 GLN A 51 5.996 9.825 11.896 1.00 43.12 H new ATOM 0 HG2 GLN A 51 8.037 8.496 12.375 1.00 0.34 H new ATOM 0 HG3 GLN A 51 9.016 9.665 11.511 1.00 0.34 H new ATOM 0 HE21 GLN A 51 9.091 8.843 14.383 1.00 31.51 H new ATOM 0 HE22 GLN A 51 8.964 10.370 15.262 1.00 31.51 H new ATOM 855 N THR A 52 7.564 6.917 9.781 1.00 4.31 N ATOM 856 CA THR A 52 7.727 5.521 10.190 1.00 31.23 C ATOM 857 C THR A 52 8.164 5.474 11.677 1.00 30.44 C ATOM 858 O THR A 52 9.176 6.088 12.023 1.00 60.25 O ATOM 859 CB THR A 52 8.789 4.797 9.302 1.00 74.03 C ATOM 860 OG1 THR A 52 8.351 4.824 7.936 1.00 61.51 O ATOM 861 CG2 THR A 52 9.034 3.337 9.748 1.00 64.50 C ATOM 0 H THR A 52 8.276 7.239 9.126 1.00 4.31 H new ATOM 0 HA THR A 52 6.775 5.006 10.065 1.00 31.23 H new ATOM 0 HB THR A 52 9.736 5.326 9.411 1.00 74.03 H new ATOM 0 HG1 THR A 52 8.944 5.403 7.414 1.00 61.51 H new ATOM 0 HG21 THR A 52 9.780 2.879 9.099 1.00 64.50 H new ATOM 0 HG22 THR A 52 9.393 3.326 10.777 1.00 64.50 H new ATOM 0 HG23 THR A 52 8.102 2.775 9.683 1.00 64.50 H new ATOM 869 N PRO A 53 7.399 4.775 12.572 1.00 34.25 N ATOM 870 CA PRO A 53 7.751 4.644 14.005 1.00 53.45 C ATOM 871 C PRO A 53 9.001 3.762 14.231 1.00 55.05 C ATOM 872 O PRO A 53 9.349 2.939 13.371 1.00 44.35 O ATOM 873 CB PRO A 53 6.486 3.984 14.617 1.00 44.14 C ATOM 874 CG PRO A 53 5.912 3.203 13.486 1.00 0.41 C ATOM 875 CD PRO A 53 6.134 4.064 12.268 1.00 62.24 C ATOM 0 HA PRO A 53 8.009 5.602 14.456 1.00 53.45 H new ATOM 0 HB2 PRO A 53 6.738 3.341 15.460 1.00 44.14 H new ATOM 0 HB3 PRO A 53 5.783 4.731 14.985 1.00 44.14 H new ATOM 0 HG2 PRO A 53 6.406 2.237 13.382 1.00 0.41 H new ATOM 0 HG3 PRO A 53 4.852 3.004 13.641 1.00 0.41 H new ATOM 0 HD2 PRO A 53 6.219 3.464 11.362 1.00 62.24 H new ATOM 0 HD3 PRO A 53 5.310 4.760 12.113 1.00 62.24 H new ATOM 883 N PRO A 54 9.710 3.937 15.391 1.00 51.32 N ATOM 884 CA PRO A 54 10.812 3.044 15.788 1.00 74.33 C ATOM 885 C PRO A 54 10.290 1.653 16.203 1.00 34.14 C ATOM 886 O PRO A 54 10.864 0.642 15.814 1.00 62.31 O ATOM 887 CB PRO A 54 11.496 3.795 16.956 1.00 74.43 C ATOM 888 CG PRO A 54 10.421 4.658 17.540 1.00 24.11 C ATOM 889 CD PRO A 54 9.519 5.038 16.382 1.00 65.03 C ATOM 0 HA PRO A 54 11.508 2.839 14.974 1.00 74.33 H new ATOM 0 HB2 PRO A 54 11.890 3.099 17.697 1.00 74.43 H new ATOM 0 HB3 PRO A 54 12.336 4.394 16.603 1.00 74.43 H new ATOM 0 HG2 PRO A 54 9.865 4.122 18.309 1.00 24.11 H new ATOM 0 HG3 PRO A 54 10.845 5.544 18.012 1.00 24.11 H new ATOM 0 HD2 PRO A 54 8.478 5.114 16.697 1.00 65.03 H new ATOM 0 HD3 PRO A 54 9.797 6.005 15.962 1.00 65.03 H new ATOM 897 N GLY A 55 9.206 1.634 17.010 1.00 31.42 N ATOM 898 CA GLY A 55 8.687 0.411 17.630 1.00 12.12 C ATOM 899 C GLY A 55 7.928 -0.526 16.682 1.00 13.10 C ATOM 900 O GLY A 55 6.712 -0.694 16.804 1.00 41.01 O ATOM 0 H GLY A 55 8.672 2.470 17.245 1.00 31.42 H new ATOM 0 HA2 GLY A 55 9.521 -0.138 18.068 1.00 12.12 H new ATOM 0 HA3 GLY A 55 8.024 0.690 18.449 1.00 12.12 H new ATOM 904 N ILE A 56 8.665 -1.141 15.748 1.00 21.21 N ATOM 905 CA ILE A 56 8.148 -2.132 14.790 1.00 72.34 C ATOM 906 C ILE A 56 8.735 -3.504 15.177 1.00 34.24 C ATOM 907 O ILE A 56 9.940 -3.727 15.017 1.00 55.53 O ATOM 908 CB ILE A 56 8.560 -1.741 13.314 1.00 45.11 C ATOM 909 CG1 ILE A 56 7.974 -0.342 12.930 1.00 11.43 C ATOM 910 CG2 ILE A 56 8.143 -2.826 12.284 1.00 54.33 C ATOM 911 CD1 ILE A 56 8.433 0.179 11.582 1.00 4.03 C ATOM 0 H ILE A 56 9.662 -0.960 15.633 1.00 21.21 H new ATOM 0 HA ILE A 56 7.059 -2.165 14.825 1.00 72.34 H new ATOM 0 HB ILE A 56 9.648 -1.679 13.284 1.00 45.11 H new ATOM 0 HG12 ILE A 56 6.886 -0.404 12.931 1.00 11.43 H new ATOM 0 HG13 ILE A 56 8.252 0.379 13.699 1.00 11.43 H new ATOM 0 HG21 ILE A 56 8.446 -2.514 11.284 1.00 54.33 H new ATOM 0 HG22 ILE A 56 8.628 -3.770 12.533 1.00 54.33 H new ATOM 0 HG23 ILE A 56 7.061 -2.956 12.311 1.00 54.33 H new ATOM 0 HD11 ILE A 56 7.980 1.153 11.395 1.00 4.03 H new ATOM 0 HD12 ILE A 56 9.519 0.277 11.580 1.00 4.03 H new ATOM 0 HD13 ILE A 56 8.131 -0.518 10.800 1.00 4.03 H new ATOM 923 N THR A 57 7.883 -4.399 15.721 1.00 71.33 N ATOM 924 CA THR A 57 8.310 -5.739 16.190 1.00 2.35 C ATOM 925 C THR A 57 8.385 -6.729 15.007 1.00 12.13 C ATOM 926 O THR A 57 8.255 -6.317 13.847 1.00 63.44 O ATOM 927 CB THR A 57 7.344 -6.275 17.302 1.00 33.20 C ATOM 928 OG1 THR A 57 6.052 -6.544 16.744 1.00 63.25 O ATOM 929 CG2 THR A 57 7.193 -5.283 18.468 1.00 61.24 C ATOM 0 H THR A 57 6.887 -4.217 15.848 1.00 71.33 H new ATOM 0 HA THR A 57 9.306 -5.647 16.624 1.00 2.35 H new ATOM 0 HB THR A 57 7.784 -7.192 17.693 1.00 33.20 H new ATOM 0 HG1 THR A 57 5.456 -6.880 17.446 1.00 63.25 H new ATOM 0 HG21 THR A 57 6.515 -5.698 19.213 1.00 61.24 H new ATOM 0 HG22 THR A 57 8.167 -5.105 18.923 1.00 61.24 H new ATOM 0 HG23 THR A 57 6.790 -4.342 18.095 1.00 61.24 H new ATOM 937 N ARG A 58 8.609 -8.026 15.311 1.00 64.14 N ATOM 938 CA ARG A 58 8.733 -9.086 14.293 1.00 45.53 C ATOM 939 C ARG A 58 7.420 -9.239 13.507 1.00 41.24 C ATOM 940 O ARG A 58 7.396 -9.011 12.297 1.00 4.42 O ATOM 941 CB ARG A 58 9.130 -10.429 14.968 1.00 20.31 C ATOM 942 CG ARG A 58 9.437 -11.606 14.000 1.00 4.42 C ATOM 943 CD ARG A 58 10.573 -11.286 13.004 1.00 11.20 C ATOM 944 NE ARG A 58 11.159 -12.505 12.409 1.00 31.42 N ATOM 945 CZ ARG A 58 10.719 -13.142 11.318 1.00 11.14 C ATOM 946 NH1 ARG A 58 9.654 -12.720 10.649 1.00 42.43 N ATOM 947 NH2 ARG A 58 11.361 -14.222 10.893 1.00 24.20 N ATOM 0 H ARG A 58 8.708 -8.365 16.268 1.00 64.14 H new ATOM 0 HA ARG A 58 9.516 -8.805 13.589 1.00 45.53 H new ATOM 0 HB2 ARG A 58 10.008 -10.256 15.590 1.00 20.31 H new ATOM 0 HB3 ARG A 58 8.322 -10.732 15.634 1.00 20.31 H new ATOM 0 HG2 ARG A 58 9.709 -12.487 14.582 1.00 4.42 H new ATOM 0 HG3 ARG A 58 8.534 -11.857 13.444 1.00 4.42 H new ATOM 0 HD2 ARG A 58 10.187 -10.647 12.210 1.00 11.20 H new ATOM 0 HD3 ARG A 58 11.354 -10.723 13.516 1.00 11.20 H new ATOM 0 HE ARG A 58 11.977 -12.898 12.874 1.00 31.42 H new ATOM 0 HH11 ARG A 58 9.150 -11.891 10.964 1.00 42.43 H new ATOM 0 HH12 ARG A 58 9.340 -13.224 9.820 1.00 42.43 H new ATOM 0 HH21 ARG A 58 12.181 -14.559 11.397 1.00 24.20 H new ATOM 0 HH22 ARG A 58 11.034 -14.716 10.062 1.00 24.20 H new ATOM 961 N SER A 59 6.330 -9.571 14.229 1.00 51.31 N ATOM 962 CA SER A 59 4.998 -9.799 13.638 1.00 22.33 C ATOM 963 C SER A 59 4.452 -8.530 12.955 1.00 43.11 C ATOM 964 O SER A 59 3.755 -8.621 11.940 1.00 21.33 O ATOM 965 CB SER A 59 4.022 -10.287 14.728 1.00 31.52 C ATOM 966 OG SER A 59 4.530 -11.436 15.398 1.00 51.34 O ATOM 0 H SER A 59 6.351 -9.689 15.242 1.00 51.31 H new ATOM 0 HA SER A 59 5.095 -10.565 12.869 1.00 22.33 H new ATOM 0 HB2 SER A 59 3.850 -9.488 15.450 1.00 31.52 H new ATOM 0 HB3 SER A 59 3.058 -10.522 14.277 1.00 31.52 H new ATOM 0 HG SER A 59 3.892 -11.723 16.085 1.00 51.34 H new ATOM 972 N ILE A 60 4.790 -7.349 13.522 1.00 24.53 N ATOM 973 CA ILE A 60 4.436 -6.045 12.930 1.00 50.53 C ATOM 974 C ILE A 60 5.159 -5.861 11.582 1.00 35.30 C ATOM 975 O ILE A 60 4.541 -5.453 10.607 1.00 55.42 O ATOM 976 CB ILE A 60 4.758 -4.853 13.912 1.00 52.15 C ATOM 977 CG1 ILE A 60 3.844 -4.934 15.181 1.00 50.31 C ATOM 978 CG2 ILE A 60 4.622 -3.471 13.217 1.00 23.10 C ATOM 979 CD1 ILE A 60 4.112 -3.866 16.230 1.00 22.14 C ATOM 0 H ILE A 60 5.312 -7.276 14.396 1.00 24.53 H new ATOM 0 HA ILE A 60 3.360 -6.034 12.755 1.00 50.53 H new ATOM 0 HB ILE A 60 5.799 -4.951 14.221 1.00 52.15 H new ATOM 0 HG12 ILE A 60 2.803 -4.861 14.867 1.00 50.31 H new ATOM 0 HG13 ILE A 60 3.970 -5.914 15.640 1.00 50.31 H new ATOM 0 HG21 ILE A 60 4.853 -2.680 13.931 1.00 23.10 H new ATOM 0 HG22 ILE A 60 5.315 -3.416 12.378 1.00 23.10 H new ATOM 0 HG23 ILE A 60 3.602 -3.345 12.854 1.00 23.10 H new ATOM 0 HD11 ILE A 60 3.432 -4.003 17.071 1.00 22.14 H new ATOM 0 HD12 ILE A 60 5.141 -3.949 16.579 1.00 22.14 H new ATOM 0 HD13 ILE A 60 3.955 -2.880 15.793 1.00 22.14 H new ATOM 991 N GLN A 61 6.455 -6.218 11.542 1.00 23.25 N ATOM 992 CA GLN A 61 7.288 -6.121 10.322 1.00 32.25 C ATOM 993 C GLN A 61 6.772 -7.070 9.223 1.00 73.12 C ATOM 994 O GLN A 61 6.795 -6.723 8.038 1.00 25.21 O ATOM 995 CB GLN A 61 8.767 -6.444 10.664 1.00 10.04 C ATOM 996 CG GLN A 61 9.747 -6.355 9.477 1.00 34.20 C ATOM 997 CD GLN A 61 11.172 -6.785 9.832 1.00 52.24 C ATOM 998 OE1 GLN A 61 11.378 -7.630 10.701 1.00 31.04 O ATOM 999 NE2 GLN A 61 12.159 -6.217 9.164 1.00 51.31 N ATOM 0 H GLN A 61 6.957 -6.582 12.352 1.00 23.25 H new ATOM 0 HA GLN A 61 7.224 -5.101 9.942 1.00 32.25 H new ATOM 0 HB2 GLN A 61 9.101 -5.759 11.443 1.00 10.04 H new ATOM 0 HB3 GLN A 61 8.816 -7.450 11.081 1.00 10.04 H new ATOM 0 HG2 GLN A 61 9.379 -6.980 8.664 1.00 34.20 H new ATOM 0 HG3 GLN A 61 9.766 -5.330 9.107 1.00 34.20 H new ATOM 0 HE21 GLN A 61 11.955 -5.519 8.449 1.00 51.31 H new ATOM 0 HE22 GLN A 61 13.125 -6.476 9.363 1.00 51.31 H new ATOM 1008 N ASP A 62 6.292 -8.257 9.641 1.00 22.43 N ATOM 1009 CA ASP A 62 5.702 -9.251 8.727 1.00 15.03 C ATOM 1010 C ASP A 62 4.403 -8.719 8.106 1.00 50.42 C ATOM 1011 O ASP A 62 4.206 -8.824 6.893 1.00 43.41 O ATOM 1012 CB ASP A 62 5.434 -10.594 9.459 1.00 62.43 C ATOM 1013 CG ASP A 62 6.724 -11.376 9.790 1.00 75.32 C ATOM 1014 OD1 ASP A 62 7.093 -11.484 10.977 1.00 12.11 O ATOM 1015 OD2 ASP A 62 7.370 -11.891 8.848 1.00 42.31 O ATOM 0 H ASP A 62 6.303 -8.552 10.617 1.00 22.43 H new ATOM 0 HA ASP A 62 6.421 -9.433 7.928 1.00 15.03 H new ATOM 0 HB2 ASP A 62 4.891 -10.394 10.383 1.00 62.43 H new ATOM 0 HB3 ASP A 62 4.789 -11.216 8.838 1.00 62.43 H new ATOM 1020 N MET A 63 3.525 -8.145 8.951 1.00 43.02 N ATOM 1021 CA MET A 63 2.232 -7.595 8.498 1.00 13.12 C ATOM 1022 C MET A 63 2.441 -6.383 7.578 1.00 21.35 C ATOM 1023 O MET A 63 1.855 -6.326 6.501 1.00 72.15 O ATOM 1024 CB MET A 63 1.315 -7.231 9.699 1.00 71.42 C ATOM 1025 CG MET A 63 0.806 -8.443 10.490 1.00 53.04 C ATOM 1026 SD MET A 63 -0.296 -7.972 11.845 1.00 31.00 S ATOM 1027 CE MET A 63 0.785 -6.987 12.894 1.00 41.20 C ATOM 0 H MET A 63 3.688 -8.050 9.953 1.00 43.02 H new ATOM 0 HA MET A 63 1.728 -8.372 7.924 1.00 13.12 H new ATOM 0 HB2 MET A 63 1.863 -6.574 10.375 1.00 71.42 H new ATOM 0 HB3 MET A 63 0.459 -6.666 9.330 1.00 71.42 H new ATOM 0 HG2 MET A 63 0.279 -9.118 9.815 1.00 53.04 H new ATOM 0 HG3 MET A 63 1.656 -8.994 10.892 1.00 53.04 H new ATOM 0 HE1 MET A 63 0.280 -6.771 13.836 1.00 41.20 H new ATOM 0 HE2 MET A 63 1.703 -7.541 13.093 1.00 41.20 H new ATOM 0 HE3 MET A 63 1.028 -6.052 12.390 1.00 41.20 H new ATOM 1037 N VAL A 64 3.324 -5.457 7.997 1.00 52.13 N ATOM 1038 CA VAL A 64 3.619 -4.223 7.254 1.00 32.33 C ATOM 1039 C VAL A 64 4.255 -4.550 5.891 1.00 41.11 C ATOM 1040 O VAL A 64 3.657 -4.237 4.867 1.00 74.41 O ATOM 1041 CB VAL A 64 4.529 -3.243 8.094 1.00 12.41 C ATOM 1042 CG1 VAL A 64 5.069 -2.079 7.230 1.00 2.01 C ATOM 1043 CG2 VAL A 64 3.750 -2.704 9.328 1.00 71.43 C ATOM 0 H VAL A 64 3.854 -5.547 8.864 1.00 52.13 H new ATOM 0 HA VAL A 64 2.676 -3.707 7.073 1.00 32.33 H new ATOM 0 HB VAL A 64 5.391 -3.810 8.446 1.00 12.41 H new ATOM 0 HG11 VAL A 64 5.690 -1.427 7.845 1.00 2.01 H new ATOM 0 HG12 VAL A 64 5.664 -2.480 6.410 1.00 2.01 H new ATOM 0 HG13 VAL A 64 4.233 -1.508 6.826 1.00 2.01 H new ATOM 0 HG21 VAL A 64 4.391 -2.030 9.897 1.00 71.43 H new ATOM 0 HG22 VAL A 64 2.864 -2.165 8.992 1.00 71.43 H new ATOM 0 HG23 VAL A 64 3.449 -3.539 9.961 1.00 71.43 H new ATOM 1053 N ALA A 65 5.433 -5.227 5.892 1.00 62.53 N ATOM 1054 CA ALA A 65 6.143 -5.597 4.639 1.00 11.24 C ATOM 1055 C ALA A 65 5.284 -6.513 3.754 1.00 54.01 C ATOM 1056 O ALA A 65 5.350 -6.434 2.533 1.00 32.14 O ATOM 1057 CB ALA A 65 7.501 -6.261 4.927 1.00 55.42 C ATOM 0 H ALA A 65 5.909 -5.527 6.743 1.00 62.53 H new ATOM 0 HA ALA A 65 6.327 -4.669 4.098 1.00 11.24 H new ATOM 0 HB1 ALA A 65 7.988 -6.516 3.986 1.00 55.42 H new ATOM 0 HB2 ALA A 65 8.132 -5.571 5.487 1.00 55.42 H new ATOM 0 HB3 ALA A 65 7.346 -7.167 5.513 1.00 55.42 H new ATOM 1063 N GLY A 66 4.463 -7.365 4.397 1.00 63.44 N ATOM 1064 CA GLY A 66 3.521 -8.232 3.683 1.00 35.43 C ATOM 1065 C GLY A 66 2.445 -7.439 2.952 1.00 41.21 C ATOM 1066 O GLY A 66 2.054 -7.783 1.832 1.00 40.43 O ATOM 0 H GLY A 66 4.437 -7.468 5.412 1.00 63.44 H new ATOM 0 HA2 GLY A 66 4.067 -8.845 2.966 1.00 35.43 H new ATOM 0 HA3 GLY A 66 3.049 -8.913 4.391 1.00 35.43 H new ATOM 1070 N TYR A 67 1.985 -6.350 3.593 1.00 1.03 N ATOM 1071 CA TYR A 67 0.984 -5.437 3.016 1.00 31.33 C ATOM 1072 C TYR A 67 1.603 -4.549 1.929 1.00 25.21 C ATOM 1073 O TYR A 67 0.922 -4.219 0.956 1.00 25.01 O ATOM 1074 CB TYR A 67 0.324 -4.573 4.120 1.00 5.34 C ATOM 1075 CG TYR A 67 -0.638 -5.327 5.067 1.00 11.42 C ATOM 1076 CD1 TYR A 67 -1.136 -6.606 4.770 1.00 44.22 C ATOM 1077 CD2 TYR A 67 -1.057 -4.739 6.257 1.00 21.23 C ATOM 1078 CE1 TYR A 67 -2.006 -7.256 5.629 1.00 4.05 C ATOM 1079 CE2 TYR A 67 -1.922 -5.390 7.107 1.00 41.12 C ATOM 1080 CZ TYR A 67 -2.395 -6.641 6.793 1.00 53.40 C ATOM 1081 OH TYR A 67 -3.258 -7.285 7.656 1.00 12.41 O ATOM 0 H TYR A 67 2.297 -6.079 4.525 1.00 1.03 H new ATOM 0 HA TYR A 67 0.209 -6.046 2.550 1.00 31.33 H new ATOM 0 HB2 TYR A 67 1.112 -4.116 4.719 1.00 5.34 H new ATOM 0 HB3 TYR A 67 -0.225 -3.762 3.643 1.00 5.34 H new ATOM 0 HD1 TYR A 67 -0.835 -7.092 3.854 1.00 44.22 H new ATOM 0 HD2 TYR A 67 -0.697 -3.755 6.518 1.00 21.23 H new ATOM 0 HE1 TYR A 67 -2.376 -8.241 5.385 1.00 4.05 H new ATOM 0 HE2 TYR A 67 -2.231 -4.915 8.026 1.00 41.12 H new ATOM 0 HH TYR A 67 -3.431 -6.713 8.433 1.00 12.41 H new ATOM 1091 N ILE A 68 2.900 -4.178 2.103 1.00 54.12 N ATOM 1092 CA ILE A 68 3.658 -3.405 1.099 1.00 51.21 C ATOM 1093 C ILE A 68 3.785 -4.251 -0.181 1.00 44.21 C ATOM 1094 O ILE A 68 3.479 -3.780 -1.274 1.00 54.34 O ATOM 1095 CB ILE A 68 5.104 -2.978 1.589 1.00 71.41 C ATOM 1096 CG1 ILE A 68 5.055 -2.187 2.934 1.00 34.42 C ATOM 1097 CG2 ILE A 68 5.818 -2.138 0.497 1.00 12.53 C ATOM 1098 CD1 ILE A 68 6.414 -1.800 3.507 1.00 42.11 C ATOM 0 H ILE A 68 3.440 -4.407 2.938 1.00 54.12 H new ATOM 0 HA ILE A 68 3.106 -2.483 0.918 1.00 51.21 H new ATOM 0 HB ILE A 68 5.671 -3.892 1.766 1.00 71.41 H new ATOM 0 HG12 ILE A 68 4.470 -1.280 2.783 1.00 34.42 H new ATOM 0 HG13 ILE A 68 4.525 -2.789 3.672 1.00 34.42 H new ATOM 0 HG21 ILE A 68 6.810 -1.852 0.848 1.00 12.53 H new ATOM 0 HG22 ILE A 68 5.912 -2.730 -0.414 1.00 12.53 H new ATOM 0 HG23 ILE A 68 5.235 -1.241 0.288 1.00 12.53 H new ATOM 0 HD11 ILE A 68 6.273 -1.255 4.440 1.00 42.11 H new ATOM 0 HD12 ILE A 68 6.998 -2.700 3.697 1.00 42.11 H new ATOM 0 HD13 ILE A 68 6.943 -1.168 2.794 1.00 42.11 H new ATOM 1110 N LYS A 69 4.208 -5.519 -0.001 1.00 13.44 N ATOM 1111 CA LYS A 69 4.283 -6.511 -1.081 1.00 4.40 C ATOM 1112 C LYS A 69 2.916 -6.681 -1.766 1.00 74.11 C ATOM 1113 O LYS A 69 2.848 -6.700 -2.995 1.00 73.21 O ATOM 1114 CB LYS A 69 4.786 -7.885 -0.537 1.00 42.03 C ATOM 1115 CG LYS A 69 4.757 -9.053 -1.562 1.00 5.35 C ATOM 1116 CD LYS A 69 5.573 -8.761 -2.851 1.00 24.44 C ATOM 1117 CE LYS A 69 5.272 -9.768 -3.971 1.00 33.41 C ATOM 1118 NZ LYS A 69 5.953 -9.396 -5.236 1.00 41.02 N ATOM 0 H LYS A 69 4.508 -5.881 0.904 1.00 13.44 H new ATOM 0 HA LYS A 69 4.997 -6.147 -1.820 1.00 4.40 H new ATOM 0 HB2 LYS A 69 5.808 -7.763 -0.178 1.00 42.03 H new ATOM 0 HB3 LYS A 69 4.177 -8.162 0.323 1.00 42.03 H new ATOM 0 HG2 LYS A 69 5.150 -9.953 -1.088 1.00 5.35 H new ATOM 0 HG3 LYS A 69 3.723 -9.262 -1.835 1.00 5.35 H new ATOM 0 HD2 LYS A 69 5.348 -7.754 -3.201 1.00 24.44 H new ATOM 0 HD3 LYS A 69 6.638 -8.787 -2.618 1.00 24.44 H new ATOM 0 HE2 LYS A 69 5.593 -10.763 -3.663 1.00 33.41 H new ATOM 0 HE3 LYS A 69 4.196 -9.818 -4.137 1.00 33.41 H new ATOM 0 HZ1 LYS A 69 5.257 -9.361 -6.008 1.00 41.02 H new ATOM 0 HZ2 LYS A 69 6.399 -8.462 -5.129 1.00 41.02 H new ATOM 0 HZ3 LYS A 69 6.682 -10.104 -5.459 1.00 41.02 H new ATOM 1132 N GLN A 70 1.842 -6.777 -0.956 1.00 2.01 N ATOM 1133 CA GLN A 70 0.482 -6.996 -1.468 1.00 14.34 C ATOM 1134 C GLN A 70 0.042 -5.840 -2.380 1.00 24.34 C ATOM 1135 O GLN A 70 -0.466 -6.080 -3.484 1.00 52.14 O ATOM 1136 CB GLN A 70 -0.537 -7.190 -0.313 1.00 22.25 C ATOM 1137 CG GLN A 70 -1.972 -7.515 -0.797 1.00 71.02 C ATOM 1138 CD GLN A 70 -2.973 -7.800 0.323 1.00 35.32 C ATOM 1139 OE1 GLN A 70 -2.874 -7.265 1.423 1.00 11.25 O ATOM 1140 NE2 GLN A 70 -3.946 -8.651 0.048 1.00 65.15 N ATOM 0 H GLN A 70 1.896 -6.705 0.060 1.00 2.01 H new ATOM 0 HA GLN A 70 0.502 -7.913 -2.057 1.00 14.34 H new ATOM 0 HB2 GLN A 70 -0.190 -7.996 0.334 1.00 22.25 H new ATOM 0 HB3 GLN A 70 -0.564 -6.284 0.292 1.00 22.25 H new ATOM 0 HG2 GLN A 70 -2.339 -6.678 -1.390 1.00 71.02 H new ATOM 0 HG3 GLN A 70 -1.931 -8.380 -1.458 1.00 71.02 H new ATOM 0 HE21 GLN A 70 -4.002 -9.080 -0.876 1.00 65.15 H new ATOM 0 HE22 GLN A 70 -4.641 -8.879 0.759 1.00 65.15 H new ATOM 1149 N THR A 71 0.283 -4.581 -1.941 1.00 3.24 N ATOM 1150 CA THR A 71 -0.191 -3.415 -2.687 1.00 20.23 C ATOM 1151 C THR A 71 0.653 -3.181 -3.935 1.00 61.44 C ATOM 1152 O THR A 71 0.107 -2.873 -4.986 1.00 51.41 O ATOM 1153 CB THR A 71 -0.299 -2.109 -1.834 1.00 75.52 C ATOM 1154 OG1 THR A 71 -0.596 -0.993 -2.691 1.00 31.23 O ATOM 1155 CG2 THR A 71 0.949 -1.784 -1.007 1.00 12.40 C ATOM 0 H THR A 71 0.795 -4.360 -1.087 1.00 3.24 H new ATOM 0 HA THR A 71 -1.211 -3.657 -2.986 1.00 20.23 H new ATOM 0 HB THR A 71 -1.102 -2.290 -1.120 1.00 75.52 H new ATOM 0 HG1 THR A 71 0.119 -0.326 -2.620 1.00 31.23 H new ATOM 0 HG21 THR A 71 0.785 -0.863 -0.448 1.00 12.40 H new ATOM 0 HG22 THR A 71 1.148 -2.600 -0.312 1.00 12.40 H new ATOM 0 HG23 THR A 71 1.803 -1.658 -1.672 1.00 12.40 H new ATOM 1163 N LEU A 72 1.980 -3.368 -3.829 1.00 11.11 N ATOM 1164 CA LEU A 72 2.888 -3.201 -4.976 1.00 62.15 C ATOM 1165 C LEU A 72 2.604 -4.240 -6.056 1.00 22.20 C ATOM 1166 O LEU A 72 2.620 -3.912 -7.233 1.00 74.40 O ATOM 1167 CB LEU A 72 4.376 -3.260 -4.540 1.00 75.31 C ATOM 1168 CG LEU A 72 4.828 -2.127 -3.568 1.00 40.25 C ATOM 1169 CD1 LEU A 72 6.358 -2.140 -3.341 1.00 74.12 C ATOM 1170 CD2 LEU A 72 4.308 -0.758 -4.053 1.00 64.34 C ATOM 0 H LEU A 72 2.447 -3.634 -2.962 1.00 11.11 H new ATOM 0 HA LEU A 72 2.703 -2.212 -5.394 1.00 62.15 H new ATOM 0 HB2 LEU A 72 4.560 -4.222 -4.062 1.00 75.31 H new ATOM 0 HB3 LEU A 72 5.001 -3.223 -5.432 1.00 75.31 H new ATOM 0 HG LEU A 72 4.381 -2.315 -2.592 1.00 40.25 H new ATOM 0 HD11 LEU A 72 6.631 -1.336 -2.658 1.00 74.12 H new ATOM 0 HD12 LEU A 72 6.654 -3.097 -2.911 1.00 74.12 H new ATOM 0 HD13 LEU A 72 6.868 -1.997 -4.293 1.00 74.12 H new ATOM 0 HD21 LEU A 72 4.633 0.020 -3.362 1.00 64.34 H new ATOM 0 HD22 LEU A 72 4.704 -0.550 -5.047 1.00 64.34 H new ATOM 0 HD23 LEU A 72 3.219 -0.776 -4.093 1.00 64.34 H new ATOM 1182 N ASP A 73 2.304 -5.476 -5.625 1.00 70.42 N ATOM 1183 CA ASP A 73 2.032 -6.597 -6.531 1.00 22.15 C ATOM 1184 C ASP A 73 0.736 -6.323 -7.322 1.00 41.32 C ATOM 1185 O ASP A 73 0.780 -6.186 -8.545 1.00 23.05 O ATOM 1186 CB ASP A 73 1.935 -7.929 -5.736 1.00 25.11 C ATOM 1187 CG ASP A 73 1.996 -9.165 -6.649 1.00 32.44 C ATOM 1188 OD1 ASP A 73 0.935 -9.720 -7.016 1.00 31.21 O ATOM 1189 OD2 ASP A 73 3.122 -9.586 -7.008 1.00 50.53 O ATOM 0 H ASP A 73 2.244 -5.723 -4.637 1.00 70.42 H new ATOM 0 HA ASP A 73 2.855 -6.694 -7.239 1.00 22.15 H new ATOM 0 HB2 ASP A 73 2.748 -7.976 -5.011 1.00 25.11 H new ATOM 0 HB3 ASP A 73 1.003 -7.944 -5.171 1.00 25.11 H new ATOM 1194 N ASN A 74 -0.384 -6.152 -6.581 1.00 43.53 N ATOM 1195 CA ASN A 74 -1.740 -5.960 -7.156 1.00 45.34 C ATOM 1196 C ASN A 74 -1.807 -4.709 -8.062 1.00 55.11 C ATOM 1197 O ASN A 74 -2.351 -4.754 -9.177 1.00 1.03 O ATOM 1198 CB ASN A 74 -2.812 -5.837 -6.024 1.00 22.23 C ATOM 1199 CG ASN A 74 -2.943 -7.086 -5.135 1.00 21.00 C ATOM 1200 OD1 ASN A 74 -2.707 -8.214 -5.569 1.00 4.32 O ATOM 1201 ND2 ASN A 74 -3.337 -6.892 -3.880 1.00 12.11 N ATOM 0 H ASN A 74 -0.374 -6.143 -5.561 1.00 43.53 H new ATOM 0 HA ASN A 74 -1.953 -6.839 -7.764 1.00 45.34 H new ATOM 0 HB2 ASN A 74 -2.562 -4.983 -5.395 1.00 22.23 H new ATOM 0 HB3 ASN A 74 -3.780 -5.626 -6.478 1.00 22.23 H new ATOM 0 HD21 ASN A 74 -3.450 -7.688 -3.252 1.00 12.11 H new ATOM 0 HD22 ASN A 74 -3.526 -5.947 -3.545 1.00 12.11 H new ATOM 1208 N GLU A 75 -1.230 -3.605 -7.570 1.00 21.12 N ATOM 1209 CA GLU A 75 -1.295 -2.289 -8.234 1.00 40.11 C ATOM 1210 C GLU A 75 -0.345 -2.255 -9.465 1.00 32.20 C ATOM 1211 O GLU A 75 -0.626 -1.566 -10.443 1.00 54.13 O ATOM 1212 CB GLU A 75 -0.972 -1.168 -7.187 1.00 62.01 C ATOM 1213 CG GLU A 75 -1.741 0.163 -7.346 1.00 73.24 C ATOM 1214 CD GLU A 75 -1.350 0.976 -8.587 1.00 13.04 C ATOM 1215 OE1 GLU A 75 -2.238 1.356 -9.385 1.00 13.52 O ATOM 1216 OE2 GLU A 75 -0.144 1.234 -8.767 1.00 31.43 O ATOM 0 H GLU A 75 -0.702 -3.596 -6.697 1.00 21.12 H new ATOM 0 HA GLU A 75 -2.300 -2.108 -8.615 1.00 40.11 H new ATOM 0 HB2 GLU A 75 -1.174 -1.562 -6.191 1.00 62.01 H new ATOM 0 HB3 GLU A 75 0.096 -0.954 -7.235 1.00 62.01 H new ATOM 0 HG2 GLU A 75 -2.809 -0.051 -7.388 1.00 73.24 H new ATOM 0 HG3 GLU A 75 -1.573 0.774 -6.459 1.00 73.24 H new ATOM 1223 N GLN A 76 0.769 -3.025 -9.424 1.00 35.14 N ATOM 1224 CA GLN A 76 1.690 -3.152 -10.586 1.00 55.14 C ATOM 1225 C GLN A 76 1.079 -4.061 -11.670 1.00 23.14 C ATOM 1226 O GLN A 76 1.365 -3.888 -12.860 1.00 24.13 O ATOM 1227 CB GLN A 76 3.072 -3.687 -10.144 1.00 75.33 C ATOM 1228 CG GLN A 76 4.177 -3.626 -11.215 1.00 73.21 C ATOM 1229 CD GLN A 76 5.536 -4.161 -10.741 1.00 54.10 C ATOM 1230 OE1 GLN A 76 6.579 -3.656 -11.150 1.00 14.44 O ATOM 1231 NE2 GLN A 76 5.544 -5.214 -9.919 1.00 3.45 N ATOM 0 H GLN A 76 1.053 -3.565 -8.606 1.00 35.14 H new ATOM 0 HA GLN A 76 1.832 -2.158 -11.010 1.00 55.14 H new ATOM 0 HB2 GLN A 76 3.401 -3.119 -9.274 1.00 75.33 H new ATOM 0 HB3 GLN A 76 2.956 -4.723 -9.824 1.00 75.33 H new ATOM 0 HG2 GLN A 76 3.857 -4.198 -12.086 1.00 73.21 H new ATOM 0 HG3 GLN A 76 4.298 -2.592 -11.539 1.00 73.21 H new ATOM 0 HE21 GLN A 76 4.664 -5.614 -9.594 1.00 3.45 H new ATOM 0 HE22 GLN A 76 6.430 -5.618 -9.616 1.00 3.45 H new ATOM 1240 N LEU A 77 0.241 -5.033 -11.239 1.00 54.34 N ATOM 1241 CA LEU A 77 -0.549 -5.880 -12.161 1.00 31.35 C ATOM 1242 C LEU A 77 -1.576 -5.006 -12.907 1.00 10.21 C ATOM 1243 O LEU A 77 -1.797 -5.183 -14.115 1.00 61.01 O ATOM 1244 CB LEU A 77 -1.262 -7.035 -11.401 1.00 43.14 C ATOM 1245 CG LEU A 77 -0.338 -8.117 -10.751 1.00 24.45 C ATOM 1246 CD1 LEU A 77 -1.163 -9.172 -9.978 1.00 41.22 C ATOM 1247 CD2 LEU A 77 0.581 -8.777 -11.805 1.00 54.44 C ATOM 0 H LEU A 77 0.095 -5.250 -10.253 1.00 54.34 H new ATOM 0 HA LEU A 77 0.130 -6.336 -12.882 1.00 31.35 H new ATOM 0 HB2 LEU A 77 -1.879 -6.597 -10.616 1.00 43.14 H new ATOM 0 HB3 LEU A 77 -1.937 -7.535 -12.096 1.00 43.14 H new ATOM 0 HG LEU A 77 0.303 -7.612 -10.028 1.00 24.45 H new ATOM 0 HD11 LEU A 77 -0.491 -9.909 -9.539 1.00 41.22 H new ATOM 0 HD12 LEU A 77 -1.731 -8.682 -9.187 1.00 41.22 H new ATOM 0 HD13 LEU A 77 -1.850 -9.670 -10.663 1.00 41.22 H new ATOM 0 HD21 LEU A 77 1.211 -9.524 -11.322 1.00 54.44 H new ATOM 0 HD22 LEU A 77 -0.029 -9.257 -12.570 1.00 54.44 H new ATOM 0 HD23 LEU A 77 1.210 -8.016 -12.267 1.00 54.44 H new ATOM 1259 N LEU A 78 -2.177 -4.053 -12.160 1.00 4.22 N ATOM 1260 CA LEU A 78 -3.030 -2.994 -12.736 1.00 62.50 C ATOM 1261 C LEU A 78 -2.265 -2.166 -13.764 1.00 42.31 C ATOM 1262 O LEU A 78 -2.755 -1.949 -14.856 1.00 13.43 O ATOM 1263 CB LEU A 78 -3.591 -2.063 -11.628 1.00 20.13 C ATOM 1264 CG LEU A 78 -4.683 -2.692 -10.731 1.00 24.25 C ATOM 1265 CD1 LEU A 78 -5.102 -1.725 -9.610 1.00 74.32 C ATOM 1266 CD2 LEU A 78 -5.886 -3.123 -11.596 1.00 11.01 C ATOM 0 H LEU A 78 -2.084 -3.998 -11.146 1.00 4.22 H new ATOM 0 HA LEU A 78 -3.863 -3.488 -13.235 1.00 62.50 H new ATOM 0 HB2 LEU A 78 -2.765 -1.739 -10.995 1.00 20.13 H new ATOM 0 HB3 LEU A 78 -4.000 -1.169 -12.099 1.00 20.13 H new ATOM 0 HG LEU A 78 -4.277 -3.580 -10.247 1.00 24.25 H new ATOM 0 HD11 LEU A 78 -5.871 -2.193 -8.995 1.00 74.32 H new ATOM 0 HD12 LEU A 78 -4.236 -1.488 -8.991 1.00 74.32 H new ATOM 0 HD13 LEU A 78 -5.496 -0.808 -10.049 1.00 74.32 H new ATOM 0 HD21 LEU A 78 -6.652 -3.565 -10.959 1.00 11.01 H new ATOM 0 HD22 LEU A 78 -6.297 -2.252 -12.107 1.00 11.01 H new ATOM 0 HD23 LEU A 78 -5.560 -3.856 -12.334 1.00 11.01 H new ATOM 1278 N LYS A 79 -1.051 -1.736 -13.403 1.00 13.01 N ATOM 1279 CA LYS A 79 -0.205 -0.890 -14.266 1.00 62.24 C ATOM 1280 C LYS A 79 0.274 -1.632 -15.532 1.00 23.03 C ATOM 1281 O LYS A 79 0.500 -1.006 -16.579 1.00 21.20 O ATOM 1282 CB LYS A 79 0.977 -0.340 -13.429 1.00 13.21 C ATOM 1283 CG LYS A 79 0.538 0.687 -12.368 1.00 23.22 C ATOM 1284 CD LYS A 79 -0.071 1.951 -13.021 1.00 51.42 C ATOM 1285 CE LYS A 79 -0.894 2.791 -12.046 1.00 13.55 C ATOM 1286 NZ LYS A 79 -0.149 3.130 -10.816 1.00 25.25 N ATOM 0 H LYS A 79 -0.623 -1.962 -12.505 1.00 13.01 H new ATOM 0 HA LYS A 79 -0.802 -0.054 -14.631 1.00 62.24 H new ATOM 0 HB2 LYS A 79 1.483 -1.170 -12.936 1.00 13.21 H new ATOM 0 HB3 LYS A 79 1.703 0.124 -14.097 1.00 13.21 H new ATOM 0 HG2 LYS A 79 -0.194 0.232 -11.701 1.00 23.22 H new ATOM 0 HG3 LYS A 79 1.395 0.969 -11.756 1.00 23.22 H new ATOM 0 HD2 LYS A 79 0.732 2.564 -13.431 1.00 51.42 H new ATOM 0 HD3 LYS A 79 -0.703 1.652 -13.857 1.00 51.42 H new ATOM 0 HE2 LYS A 79 -1.208 3.710 -12.540 1.00 13.55 H new ATOM 0 HE3 LYS A 79 -1.800 2.247 -11.779 1.00 13.55 H new ATOM 0 HZ1 LYS A 79 -0.676 3.847 -10.278 1.00 25.25 H new ATOM 0 HZ2 LYS A 79 -0.033 2.276 -10.234 1.00 25.25 H new ATOM 0 HZ3 LYS A 79 0.787 3.506 -11.070 1.00 25.25 H new ATOM 1300 N GLY A 80 0.404 -2.968 -15.418 1.00 2.32 N ATOM 1301 CA GLY A 80 0.666 -3.837 -16.570 1.00 33.23 C ATOM 1302 C GLY A 80 -0.563 -3.970 -17.463 1.00 54.02 C ATOM 1303 O GLY A 80 -0.445 -4.081 -18.683 1.00 2.21 O ATOM 0 H GLY A 80 0.330 -3.467 -14.531 1.00 2.32 H new ATOM 0 HA2 GLY A 80 1.496 -3.433 -17.150 1.00 33.23 H new ATOM 0 HA3 GLY A 80 0.971 -4.823 -16.221 1.00 33.23 H new ATOM 1307 N LEU A 81 -1.746 -3.952 -16.823 1.00 3.55 N ATOM 1308 CA LEU A 81 -3.057 -4.019 -17.499 1.00 2.23 C ATOM 1309 C LEU A 81 -3.372 -2.667 -18.198 1.00 15.23 C ATOM 1310 O LEU A 81 -3.935 -2.658 -19.303 1.00 14.03 O ATOM 1311 CB LEU A 81 -4.144 -4.421 -16.436 1.00 34.42 C ATOM 1312 CG LEU A 81 -5.565 -4.900 -16.936 1.00 41.30 C ATOM 1313 CD1 LEU A 81 -6.301 -5.714 -15.840 1.00 41.20 C ATOM 1314 CD2 LEU A 81 -6.459 -3.729 -17.415 1.00 32.50 C ATOM 0 H LEU A 81 -1.821 -3.890 -15.808 1.00 3.55 H new ATOM 0 HA LEU A 81 -3.050 -4.776 -18.284 1.00 2.23 H new ATOM 0 HB2 LEU A 81 -3.725 -5.219 -15.823 1.00 34.42 H new ATOM 0 HB3 LEU A 81 -4.298 -3.563 -15.782 1.00 34.42 H new ATOM 0 HG LEU A 81 -5.381 -5.544 -17.796 1.00 41.30 H new ATOM 0 HD11 LEU A 81 -7.275 -6.029 -16.214 1.00 41.20 H new ATOM 0 HD12 LEU A 81 -5.710 -6.592 -15.581 1.00 41.20 H new ATOM 0 HD13 LEU A 81 -6.436 -5.093 -14.954 1.00 41.20 H new ATOM 0 HD21 LEU A 81 -7.422 -4.118 -17.747 1.00 32.50 H new ATOM 0 HD22 LEU A 81 -6.614 -3.030 -16.593 1.00 32.50 H new ATOM 0 HD23 LEU A 81 -5.971 -3.214 -18.243 1.00 32.50 H new ATOM 1326 N LEU A 82 -2.962 -1.539 -17.564 1.00 73.32 N ATOM 1327 CA LEU A 82 -3.335 -0.183 -18.011 1.00 20.33 C ATOM 1328 C LEU A 82 -2.496 0.255 -19.223 1.00 2.02 C ATOM 1329 O LEU A 82 -3.007 0.286 -20.345 1.00 60.32 O ATOM 1330 CB LEU A 82 -3.175 0.844 -16.838 1.00 70.33 C ATOM 1331 CG LEU A 82 -4.183 0.702 -15.647 1.00 62.00 C ATOM 1332 CD1 LEU A 82 -3.817 1.641 -14.475 1.00 60.32 C ATOM 1333 CD2 LEU A 82 -5.636 0.930 -16.116 1.00 55.33 C ATOM 0 H LEU A 82 -2.368 -1.549 -16.735 1.00 73.32 H new ATOM 0 HA LEU A 82 -4.381 -0.208 -18.317 1.00 20.33 H new ATOM 0 HB2 LEU A 82 -2.163 0.756 -16.442 1.00 70.33 H new ATOM 0 HB3 LEU A 82 -3.270 1.849 -17.248 1.00 70.33 H new ATOM 0 HG LEU A 82 -4.109 -0.321 -15.277 1.00 62.00 H new ATOM 0 HD11 LEU A 82 -4.539 1.514 -13.668 1.00 60.32 H new ATOM 0 HD12 LEU A 82 -2.819 1.397 -14.111 1.00 60.32 H new ATOM 0 HD13 LEU A 82 -3.835 2.675 -14.818 1.00 60.32 H new ATOM 0 HD21 LEU A 82 -6.313 0.825 -15.268 1.00 55.33 H new ATOM 0 HD22 LEU A 82 -5.730 1.932 -16.534 1.00 55.33 H new ATOM 0 HD23 LEU A 82 -5.892 0.194 -16.878 1.00 55.33 H new ATOM 1490 N LEU A 92 -0.647 11.650 -8.125 1.00 54.22 N ATOM 1491 CA LEU A 92 0.574 11.044 -7.524 1.00 35.31 C ATOM 1492 C LEU A 92 1.821 11.862 -7.907 1.00 30.14 C ATOM 1493 O LEU A 92 1.764 12.698 -8.820 1.00 35.42 O ATOM 1494 CB LEU A 92 0.715 9.551 -7.946 1.00 32.23 C ATOM 1495 CG LEU A 92 -0.319 8.569 -7.295 1.00 13.13 C ATOM 1496 CD1 LEU A 92 -0.122 7.119 -7.791 1.00 73.12 C ATOM 1497 CD2 LEU A 92 -0.245 8.635 -5.752 1.00 34.22 C ATOM 0 HA LEU A 92 0.479 11.068 -6.438 1.00 35.31 H new ATOM 0 HB2 LEU A 92 0.619 9.487 -9.030 1.00 32.23 H new ATOM 0 HB3 LEU A 92 1.720 9.213 -7.694 1.00 32.23 H new ATOM 0 HG LEU A 92 -1.313 8.890 -7.606 1.00 13.13 H new ATOM 0 HD11 LEU A 92 -0.858 6.469 -7.317 1.00 73.12 H new ATOM 0 HD12 LEU A 92 -0.251 7.084 -8.873 1.00 73.12 H new ATOM 0 HD13 LEU A 92 0.881 6.780 -7.534 1.00 73.12 H new ATOM 0 HD21 LEU A 92 -0.972 7.945 -5.323 1.00 34.22 H new ATOM 0 HD22 LEU A 92 0.757 8.358 -5.424 1.00 34.22 H new ATOM 0 HD23 LEU A 92 -0.468 9.649 -5.420 1.00 34.22 H new ATOM 1509 N ILE A 93 2.939 11.600 -7.190 1.00 43.02 N ATOM 1510 CA ILE A 93 4.199 12.373 -7.293 1.00 60.12 C ATOM 1511 C ILE A 93 4.810 12.292 -8.710 1.00 50.34 C ATOM 1512 O ILE A 93 5.547 11.351 -9.024 1.00 51.24 O ATOM 1513 CB ILE A 93 5.245 11.891 -6.207 1.00 4.44 C ATOM 1514 CG1 ILE A 93 4.617 11.960 -4.780 1.00 52.24 C ATOM 1515 CG2 ILE A 93 6.564 12.720 -6.275 1.00 63.21 C ATOM 1516 CD1 ILE A 93 5.500 11.448 -3.660 1.00 55.43 C ATOM 0 H ILE A 93 2.992 10.837 -6.516 1.00 43.02 H new ATOM 0 HA ILE A 93 3.954 13.418 -7.101 1.00 60.12 H new ATOM 0 HB ILE A 93 5.501 10.854 -6.425 1.00 4.44 H new ATOM 0 HG12 ILE A 93 4.352 12.996 -4.567 1.00 52.24 H new ATOM 0 HG13 ILE A 93 3.690 11.387 -4.781 1.00 52.24 H new ATOM 0 HG21 ILE A 93 7.259 12.362 -5.515 1.00 63.21 H new ATOM 0 HG22 ILE A 93 7.014 12.607 -7.261 1.00 63.21 H new ATOM 0 HG23 ILE A 93 6.342 13.772 -6.096 1.00 63.21 H new ATOM 0 HD11 ILE A 93 4.973 11.539 -2.710 1.00 55.43 H new ATOM 0 HD12 ILE A 93 5.746 10.401 -3.840 1.00 55.43 H new ATOM 0 HD13 ILE A 93 6.418 12.035 -3.623 1.00 55.43 H new ATOM 1528 N GLY A 94 4.445 13.275 -9.565 1.00 2.30 N ATOM 1529 CA GLY A 94 4.944 13.376 -10.944 1.00 53.34 C ATOM 1530 C GLY A 94 4.591 12.171 -11.808 1.00 1.01 C ATOM 1531 O GLY A 94 5.352 11.824 -12.713 1.00 63.24 O ATOM 0 H GLY A 94 3.795 14.019 -9.312 1.00 2.30 H new ATOM 0 HA2 GLY A 94 4.536 14.276 -11.405 1.00 53.34 H new ATOM 0 HA3 GLY A 94 6.028 13.493 -10.922 1.00 53.34 H new ATOM 1535 N GLN A 95 3.420 11.531 -11.499 1.00 73.14 N ATOM 1536 CA GLN A 95 2.933 10.242 -12.085 1.00 41.23 C ATOM 1537 C GLN A 95 4.062 9.177 -12.227 1.00 33.33 C ATOM 1538 O GLN A 95 4.083 8.366 -13.157 1.00 52.44 O ATOM 1539 CB GLN A 95 2.138 10.467 -13.413 1.00 2.11 C ATOM 1540 CG GLN A 95 2.944 11.031 -14.600 1.00 32.51 C ATOM 1541 CD GLN A 95 2.105 11.216 -15.856 1.00 71.42 C ATOM 1542 OE1 GLN A 95 1.513 12.269 -16.086 1.00 23.40 O ATOM 1543 NE2 GLN A 95 2.017 10.178 -16.662 1.00 1.10 N ATOM 0 H GLN A 95 2.769 11.912 -10.812 1.00 73.14 H new ATOM 0 HA GLN A 95 2.227 9.823 -11.369 1.00 41.23 H new ATOM 0 HB2 GLN A 95 1.701 9.516 -13.716 1.00 2.11 H new ATOM 0 HB3 GLN A 95 1.311 11.146 -13.207 1.00 2.11 H new ATOM 0 HG2 GLN A 95 3.377 11.990 -14.315 1.00 32.51 H new ATOM 0 HG3 GLN A 95 3.774 10.359 -14.820 1.00 32.51 H new ATOM 0 HE21 GLN A 95 2.520 9.318 -16.443 1.00 1.10 H new ATOM 0 HE22 GLN A 95 1.445 10.234 -17.505 1.00 1.10 H new ATOM 1552 N SER A 96 4.961 9.188 -11.233 1.00 61.13 N ATOM 1553 CA SER A 96 6.109 8.264 -11.096 1.00 33.10 C ATOM 1554 C SER A 96 6.479 8.187 -9.600 1.00 60.51 C ATOM 1555 O SER A 96 5.684 8.618 -8.751 1.00 30.12 O ATOM 1556 CB SER A 96 7.315 8.752 -11.947 1.00 73.11 C ATOM 1557 OG SER A 96 7.027 8.735 -13.338 1.00 40.32 O ATOM 0 H SER A 96 4.912 9.864 -10.471 1.00 61.13 H new ATOM 0 HA SER A 96 5.841 7.273 -11.464 1.00 33.10 H new ATOM 0 HB2 SER A 96 7.586 9.764 -11.645 1.00 73.11 H new ATOM 0 HB3 SER A 96 8.179 8.118 -11.748 1.00 73.11 H new ATOM 0 HG SER A 96 7.809 9.050 -13.838 1.00 40.32 H new ATOM 1563 N THR A 97 7.653 7.584 -9.278 1.00 21.15 N ATOM 1564 CA THR A 97 8.271 7.601 -7.922 1.00 64.24 C ATOM 1565 C THR A 97 7.593 6.624 -6.920 1.00 61.44 C ATOM 1566 O THR A 97 8.300 5.921 -6.194 1.00 73.31 O ATOM 1567 CB THR A 97 8.352 9.062 -7.318 1.00 61.51 C ATOM 1568 OG1 THR A 97 9.253 9.862 -8.106 1.00 35.40 O ATOM 1569 CG2 THR A 97 8.783 9.091 -5.834 1.00 34.41 C ATOM 0 H THR A 97 8.206 7.065 -9.960 1.00 21.15 H new ATOM 0 HA THR A 97 9.289 7.240 -8.070 1.00 64.24 H new ATOM 0 HB THR A 97 7.343 9.474 -7.355 1.00 61.51 H new ATOM 0 HG1 THR A 97 9.300 10.766 -7.731 1.00 35.40 H new ATOM 0 HG21 THR A 97 8.818 10.123 -5.485 1.00 34.41 H new ATOM 0 HG22 THR A 97 8.065 8.530 -5.236 1.00 34.41 H new ATOM 0 HG23 THR A 97 9.771 8.641 -5.733 1.00 34.41 H new ATOM 1577 N ARG A 98 6.243 6.572 -6.927 1.00 51.23 N ATOM 1578 CA ARG A 98 5.408 5.869 -5.925 1.00 52.52 C ATOM 1579 C ARG A 98 5.876 4.415 -5.719 1.00 11.21 C ATOM 1580 O ARG A 98 6.115 4.002 -4.576 1.00 51.41 O ATOM 1581 CB ARG A 98 3.914 5.954 -6.399 1.00 34.21 C ATOM 1582 CG ARG A 98 2.797 5.392 -5.463 1.00 62.23 C ATOM 1583 CD ARG A 98 2.719 3.844 -5.391 1.00 24.43 C ATOM 1584 NE ARG A 98 2.843 3.203 -6.712 1.00 75.13 N ATOM 1585 CZ ARG A 98 2.479 1.954 -7.013 1.00 14.45 C ATOM 1586 NH1 ARG A 98 1.932 1.140 -6.109 1.00 72.15 N ATOM 1587 NH2 ARG A 98 2.682 1.516 -8.251 1.00 4.31 N ATOM 0 H ARG A 98 5.687 7.030 -7.649 1.00 51.23 H new ATOM 0 HA ARG A 98 5.506 6.348 -4.951 1.00 52.52 H new ATOM 0 HB2 ARG A 98 3.687 7.003 -6.591 1.00 34.21 H new ATOM 0 HB3 ARG A 98 3.840 5.432 -7.353 1.00 34.21 H new ATOM 0 HG2 ARG A 98 2.958 5.780 -4.457 1.00 62.23 H new ATOM 0 HG3 ARG A 98 1.834 5.774 -5.802 1.00 62.23 H new ATOM 0 HD2 ARG A 98 3.510 3.475 -4.738 1.00 24.43 H new ATOM 0 HD3 ARG A 98 1.771 3.553 -4.939 1.00 24.43 H new ATOM 0 HE ARG A 98 3.243 3.764 -7.464 1.00 75.13 H new ATOM 0 HH11 ARG A 98 1.780 1.466 -5.155 1.00 72.15 H new ATOM 0 HH12 ARG A 98 1.665 0.191 -6.372 1.00 72.15 H new ATOM 0 HH21 ARG A 98 3.107 2.130 -8.946 1.00 4.31 H new ATOM 0 HH22 ARG A 98 2.413 0.566 -8.506 1.00 4.31 H new ATOM 1601 N GLN A 99 6.028 3.660 -6.834 1.00 5.31 N ATOM 1602 CA GLN A 99 6.381 2.231 -6.778 1.00 41.10 C ATOM 1603 C GLN A 99 7.754 2.055 -6.109 1.00 1.04 C ATOM 1604 O GLN A 99 7.902 1.232 -5.209 1.00 43.22 O ATOM 1605 CB GLN A 99 6.390 1.606 -8.196 1.00 55.25 C ATOM 1606 CG GLN A 99 6.559 0.069 -8.223 1.00 53.52 C ATOM 1607 CD GLN A 99 6.852 -0.476 -9.621 1.00 71.21 C ATOM 1608 OE1 GLN A 99 8.014 -0.621 -10.005 1.00 20.23 O ATOM 1609 NE2 GLN A 99 5.813 -0.734 -10.406 1.00 53.40 N ATOM 0 H GLN A 99 5.910 4.022 -7.780 1.00 5.31 H new ATOM 0 HA GLN A 99 5.627 1.713 -6.185 1.00 41.10 H new ATOM 0 HB2 GLN A 99 5.458 1.864 -8.698 1.00 55.25 H new ATOM 0 HB3 GLN A 99 7.198 2.057 -8.772 1.00 55.25 H new ATOM 0 HG2 GLN A 99 7.370 -0.214 -7.552 1.00 53.52 H new ATOM 0 HG3 GLN A 99 5.651 -0.397 -7.840 1.00 53.52 H new ATOM 0 HE21 GLN A 99 4.864 -0.603 -10.056 1.00 53.40 H new ATOM 0 HE22 GLN A 99 5.964 -1.063 -11.360 1.00 53.40 H new ATOM 1618 N LYS A 100 8.724 2.895 -6.535 1.00 12.32 N ATOM 1619 CA LYS A 100 10.109 2.890 -6.007 1.00 10.32 C ATOM 1620 C LYS A 100 10.164 3.373 -4.538 1.00 52.41 C ATOM 1621 O LYS A 100 11.033 2.943 -3.785 1.00 71.04 O ATOM 1622 CB LYS A 100 11.033 3.771 -6.900 1.00 62.54 C ATOM 1623 CG LYS A 100 12.510 3.837 -6.429 1.00 44.23 C ATOM 1624 CD LYS A 100 13.379 4.805 -7.266 1.00 54.21 C ATOM 1625 CE LYS A 100 14.800 4.972 -6.692 1.00 52.41 C ATOM 1626 NZ LYS A 100 15.554 3.687 -6.659 1.00 12.12 N ATOM 0 H LYS A 100 8.569 3.598 -7.257 1.00 12.32 H new ATOM 0 HA LYS A 100 10.466 1.861 -6.030 1.00 10.32 H new ATOM 0 HB2 LYS A 100 11.007 3.386 -7.919 1.00 62.54 H new ATOM 0 HB3 LYS A 100 10.629 4.783 -6.931 1.00 62.54 H new ATOM 0 HG2 LYS A 100 12.537 4.147 -5.384 1.00 44.23 H new ATOM 0 HG3 LYS A 100 12.944 2.838 -6.476 1.00 44.23 H new ATOM 0 HD2 LYS A 100 13.445 4.435 -8.289 1.00 54.21 H new ATOM 0 HD3 LYS A 100 12.892 5.779 -7.310 1.00 54.21 H new ATOM 0 HE2 LYS A 100 15.349 5.697 -7.293 1.00 52.41 H new ATOM 0 HE3 LYS A 100 14.736 5.378 -5.683 1.00 52.41 H new ATOM 0 HZ1 LYS A 100 16.508 3.854 -6.281 1.00 12.12 H new ATOM 0 HZ2 LYS A 100 15.055 3.007 -6.050 1.00 12.12 H new ATOM 0 HZ3 LYS A 100 15.626 3.302 -7.622 1.00 12.12 H new ATOM 1640 N SER A 101 9.222 4.250 -4.142 1.00 44.43 N ATOM 1641 CA SER A 101 9.178 4.839 -2.787 1.00 35.40 C ATOM 1642 C SER A 101 8.720 3.788 -1.764 1.00 13.40 C ATOM 1643 O SER A 101 9.270 3.698 -0.660 1.00 2.33 O ATOM 1644 CB SER A 101 8.238 6.069 -2.776 1.00 13.03 C ATOM 1645 OG SER A 101 8.214 6.708 -1.508 1.00 24.11 O ATOM 0 H SER A 101 8.470 4.571 -4.751 1.00 44.43 H new ATOM 0 HA SER A 101 10.179 5.168 -2.508 1.00 35.40 H new ATOM 0 HB2 SER A 101 8.563 6.781 -3.535 1.00 13.03 H new ATOM 0 HB3 SER A 101 7.229 5.757 -3.044 1.00 13.03 H new ATOM 0 HG SER A 101 7.296 6.978 -1.295 1.00 24.11 H new ATOM 1651 N LEU A 102 7.713 2.983 -2.153 1.00 24.54 N ATOM 1652 CA LEU A 102 7.230 1.855 -1.333 1.00 3.24 C ATOM 1653 C LEU A 102 8.159 0.636 -1.473 1.00 34.53 C ATOM 1654 O LEU A 102 8.179 -0.221 -0.596 1.00 13.11 O ATOM 1655 CB LEU A 102 5.773 1.461 -1.687 1.00 25.15 C ATOM 1656 CG LEU A 102 4.618 2.382 -1.166 1.00 41.13 C ATOM 1657 CD1 LEU A 102 4.646 3.790 -1.786 1.00 61.25 C ATOM 1658 CD2 LEU A 102 3.249 1.699 -1.390 1.00 32.03 C ATOM 0 H LEU A 102 7.215 3.094 -3.036 1.00 24.54 H new ATOM 0 HA LEU A 102 7.241 2.189 -0.296 1.00 3.24 H new ATOM 0 HB2 LEU A 102 5.695 1.409 -2.773 1.00 25.15 H new ATOM 0 HB3 LEU A 102 5.596 0.455 -1.306 1.00 25.15 H new ATOM 0 HG LEU A 102 4.776 2.521 -0.096 1.00 41.13 H new ATOM 0 HD11 LEU A 102 3.822 4.380 -1.386 1.00 61.25 H new ATOM 0 HD12 LEU A 102 5.591 4.276 -1.544 1.00 61.25 H new ATOM 0 HD13 LEU A 102 4.545 3.713 -2.869 1.00 61.25 H new ATOM 0 HD21 LEU A 102 2.454 2.349 -1.024 1.00 32.03 H new ATOM 0 HD22 LEU A 102 3.105 1.513 -2.454 1.00 32.03 H new ATOM 0 HD23 LEU A 102 3.222 0.753 -0.850 1.00 32.03 H new ATOM 1670 N ASN A 103 8.904 0.557 -2.591 1.00 43.33 N ATOM 1671 CA ASN A 103 9.927 -0.494 -2.807 1.00 72.15 C ATOM 1672 C ASN A 103 11.138 -0.196 -1.899 1.00 43.12 C ATOM 1673 O ASN A 103 11.778 -1.111 -1.371 1.00 4.14 O ATOM 1674 CB ASN A 103 10.329 -0.542 -4.319 1.00 13.53 C ATOM 1675 CG ASN A 103 10.983 -1.852 -4.803 1.00 43.33 C ATOM 1676 OD1 ASN A 103 10.700 -2.314 -5.911 1.00 2.21 O ATOM 1677 ND2 ASN A 103 11.881 -2.447 -4.035 1.00 15.54 N ATOM 0 H ASN A 103 8.818 1.213 -3.368 1.00 43.33 H new ATOM 0 HA ASN A 103 9.531 -1.475 -2.546 1.00 72.15 H new ATOM 0 HB2 ASN A 103 9.436 -0.362 -4.918 1.00 13.53 H new ATOM 0 HB3 ASN A 103 11.017 0.280 -4.518 1.00 13.53 H new ATOM 0 HD21 ASN A 103 12.346 -3.296 -4.358 1.00 15.54 H new ATOM 0 HD22 ASN A 103 12.108 -2.057 -3.120 1.00 15.54 H new ATOM 1684 N ASN A 104 11.402 1.113 -1.704 1.00 70.00 N ATOM 1685 CA ASN A 104 12.430 1.616 -0.775 1.00 14.01 C ATOM 1686 C ASN A 104 11.959 1.398 0.663 1.00 4.22 C ATOM 1687 O ASN A 104 12.759 1.080 1.537 1.00 13.11 O ATOM 1688 CB ASN A 104 12.723 3.123 -1.028 1.00 35.22 C ATOM 1689 CG ASN A 104 13.780 3.698 -0.073 1.00 22.41 C ATOM 1690 OD1 ASN A 104 14.982 3.608 -0.320 1.00 73.11 O ATOM 1691 ND2 ASN A 104 13.336 4.284 1.026 1.00 0.00 N ATOM 0 H ASN A 104 10.902 1.856 -2.193 1.00 70.00 H new ATOM 0 HA ASN A 104 13.356 1.067 -0.943 1.00 14.01 H new ATOM 0 HB2 ASN A 104 13.061 3.254 -2.056 1.00 35.22 H new ATOM 0 HB3 ASN A 104 11.798 3.690 -0.921 1.00 35.22 H new ATOM 0 HD21 ASN A 104 13.996 4.677 1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.333 4.343 1.203 1.00 0.00 H new ATOM 1698 N ALA A 105 10.643 1.580 0.884 1.00 34.24 N ATOM 1699 CA ALA A 105 10.010 1.320 2.179 1.00 24.21 C ATOM 1700 C ALA A 105 10.172 -0.160 2.565 1.00 42.12 C ATOM 1701 O ALA A 105 10.639 -0.469 3.662 1.00 52.24 O ATOM 1702 CB ALA A 105 8.529 1.732 2.147 1.00 75.24 C ATOM 0 H ALA A 105 9.996 1.911 0.168 1.00 34.24 H new ATOM 0 HA ALA A 105 10.506 1.922 2.941 1.00 24.21 H new ATOM 0 HB1 ALA A 105 8.075 1.532 3.117 1.00 75.24 H new ATOM 0 HB2 ALA A 105 8.452 2.796 1.923 1.00 75.24 H new ATOM 0 HB3 ALA A 105 8.009 1.161 1.378 1.00 75.24 H new ATOM 1708 N TYR A 106 9.847 -1.056 1.616 1.00 4.24 N ATOM 1709 CA TYR A 106 9.952 -2.509 1.816 1.00 73.34 C ATOM 1710 C TYR A 106 11.417 -2.890 2.104 1.00 34.32 C ATOM 1711 O TYR A 106 11.697 -3.569 3.093 1.00 2.54 O ATOM 1712 CB TYR A 106 9.435 -3.280 0.561 1.00 40.24 C ATOM 1713 CG TYR A 106 9.275 -4.813 0.756 1.00 51.11 C ATOM 1714 CD1 TYR A 106 10.382 -5.657 0.930 1.00 20.32 C ATOM 1715 CD2 TYR A 106 8.021 -5.416 0.761 1.00 1.32 C ATOM 1716 CE1 TYR A 106 10.240 -7.016 1.109 1.00 2.05 C ATOM 1717 CE2 TYR A 106 7.886 -6.782 0.937 1.00 32.34 C ATOM 1718 CZ TYR A 106 8.996 -7.572 1.111 1.00 13.34 C ATOM 1719 OH TYR A 106 8.859 -8.930 1.298 1.00 51.43 O ATOM 0 H TYR A 106 9.505 -0.792 0.692 1.00 4.24 H new ATOM 0 HA TYR A 106 9.332 -2.788 2.668 1.00 73.34 H new ATOM 0 HB2 TYR A 106 8.472 -2.863 0.268 1.00 40.24 H new ATOM 0 HB3 TYR A 106 10.124 -3.103 -0.265 1.00 40.24 H new ATOM 0 HD1 TYR A 106 11.374 -5.230 0.923 1.00 20.32 H new ATOM 0 HD2 TYR A 106 7.139 -4.808 0.625 1.00 1.32 H new ATOM 0 HE1 TYR A 106 11.112 -7.638 1.247 1.00 2.05 H new ATOM 0 HE2 TYR A 106 6.903 -7.229 0.938 1.00 32.34 H new ATOM 0 HH TYR A 106 7.909 -9.169 1.274 1.00 51.43 H new ATOM 1729 N GLY A 107 12.328 -2.429 1.214 1.00 3.35 N ATOM 1730 CA GLY A 107 13.745 -2.803 1.257 1.00 14.31 C ATOM 1731 C GLY A 107 14.448 -2.339 2.521 1.00 74.35 C ATOM 1732 O GLY A 107 15.187 -3.118 3.153 1.00 41.21 O ATOM 0 H GLY A 107 12.094 -1.791 0.453 1.00 3.35 H new ATOM 0 HA2 GLY A 107 13.831 -3.887 1.178 1.00 14.31 H new ATOM 0 HA3 GLY A 107 14.252 -2.379 0.390 1.00 14.31 H new ATOM 1736 N ARG A 108 14.187 -1.075 2.910 1.00 21.13 N ATOM 1737 CA ARG A 108 14.781 -0.468 4.109 1.00 53.42 C ATOM 1738 C ARG A 108 14.206 -1.132 5.372 1.00 21.13 C ATOM 1739 O ARG A 108 14.922 -1.280 6.356 1.00 34.50 O ATOM 1740 CB ARG A 108 14.558 1.069 4.143 1.00 14.15 C ATOM 1741 CG ARG A 108 15.365 1.846 5.232 1.00 53.01 C ATOM 1742 CD ARG A 108 16.854 2.099 4.882 1.00 33.24 C ATOM 1743 NE ARG A 108 17.704 0.887 4.950 1.00 72.33 N ATOM 1744 CZ ARG A 108 19.028 0.851 4.667 1.00 3.44 C ATOM 1745 NH1 ARG A 108 19.686 1.949 4.297 1.00 61.25 N ATOM 1746 NH2 ARG A 108 19.695 -0.295 4.765 1.00 0.33 N ATOM 0 H ARG A 108 13.560 -0.451 2.401 1.00 21.13 H new ATOM 0 HA ARG A 108 15.857 -0.637 4.078 1.00 53.42 H new ATOM 0 HB2 ARG A 108 14.816 1.477 3.166 1.00 14.15 H new ATOM 0 HB3 ARG A 108 13.496 1.260 4.298 1.00 14.15 H new ATOM 0 HG2 ARG A 108 14.880 2.806 5.408 1.00 53.01 H new ATOM 0 HG3 ARG A 108 15.316 1.288 6.167 1.00 53.01 H new ATOM 0 HD2 ARG A 108 16.914 2.517 3.877 1.00 33.24 H new ATOM 0 HD3 ARG A 108 17.254 2.850 5.564 1.00 33.24 H new ATOM 0 HE ARG A 108 17.258 0.014 5.231 1.00 72.33 H new ATOM 0 HH11 ARG A 108 19.192 2.839 4.222 1.00 61.25 H new ATOM 0 HH12 ARG A 108 20.683 1.900 4.088 1.00 61.25 H new ATOM 0 HH21 ARG A 108 19.210 -1.145 5.053 1.00 0.33 H new ATOM 0 HH22 ARG A 108 20.692 -0.325 4.552 1.00 0.33 H new ATOM 1760 N LEU A 109 12.907 -1.534 5.326 1.00 62.20 N ATOM 1761 CA LEU A 109 12.244 -2.265 6.439 1.00 10.10 C ATOM 1762 C LEU A 109 12.868 -3.642 6.623 1.00 52.12 C ATOM 1763 O LEU A 109 13.199 -4.039 7.748 1.00 51.03 O ATOM 1764 CB LEU A 109 10.717 -2.403 6.198 1.00 52.40 C ATOM 1765 CG LEU A 109 9.890 -3.097 7.337 1.00 52.23 C ATOM 1766 CD1 LEU A 109 9.980 -2.322 8.676 1.00 13.12 C ATOM 1767 CD2 LEU A 109 8.425 -3.289 6.910 1.00 1.24 C ATOM 0 H LEU A 109 12.297 -1.363 4.527 1.00 62.20 H new ATOM 0 HA LEU A 109 12.393 -1.682 7.348 1.00 10.10 H new ATOM 0 HB2 LEU A 109 10.305 -1.407 6.036 1.00 52.40 H new ATOM 0 HB3 LEU A 109 10.566 -2.964 5.276 1.00 52.40 H new ATOM 0 HG LEU A 109 10.332 -4.079 7.504 1.00 52.23 H new ATOM 0 HD11 LEU A 109 9.393 -2.838 9.435 1.00 13.12 H new ATOM 0 HD12 LEU A 109 11.021 -2.268 8.996 1.00 13.12 H new ATOM 0 HD13 LEU A 109 9.590 -1.313 8.540 1.00 13.12 H new ATOM 0 HD21 LEU A 109 7.872 -3.772 7.715 1.00 1.24 H new ATOM 0 HD22 LEU A 109 7.979 -2.318 6.694 1.00 1.24 H new ATOM 0 HD23 LEU A 109 8.385 -3.913 6.017 1.00 1.24 H new ATOM 1779 N SER A 110 13.057 -4.326 5.485 1.00 73.12 N ATOM 1780 CA SER A 110 13.571 -5.694 5.420 1.00 2.20 C ATOM 1781 C SER A 110 14.965 -5.775 6.049 1.00 63.52 C ATOM 1782 O SER A 110 15.218 -6.651 6.876 1.00 25.35 O ATOM 1783 CB SER A 110 13.622 -6.178 3.948 1.00 62.22 C ATOM 1784 OG SER A 110 14.165 -7.484 3.849 1.00 20.42 O ATOM 0 H SER A 110 12.851 -3.932 4.567 1.00 73.12 H new ATOM 0 HA SER A 110 12.898 -6.342 5.982 1.00 2.20 H new ATOM 0 HB2 SER A 110 12.617 -6.168 3.525 1.00 62.22 H new ATOM 0 HB3 SER A 110 14.223 -5.487 3.357 1.00 62.22 H new ATOM 0 HG SER A 110 14.182 -7.761 2.909 1.00 20.42 H new ATOM 1790 N GLY A 111 15.859 -4.839 5.646 1.00 3.01 N ATOM 1791 CA GLY A 111 17.230 -4.835 6.151 1.00 65.52 C ATOM 1792 C GLY A 111 17.374 -4.092 7.481 1.00 62.32 C ATOM 1793 O GLY A 111 17.816 -4.694 8.465 1.00 23.42 O ATOM 0 H GLY A 111 15.648 -4.093 4.983 1.00 3.01 H new ATOM 0 HA2 GLY A 111 17.568 -5.864 6.277 1.00 65.52 H new ATOM 0 HA3 GLY A 111 17.883 -4.373 5.410 1.00 65.52 H new ATOM 1797 N MET A 112 17.019 -2.772 7.526 1.00 75.52 N ATOM 1798 CA MET A 112 17.170 -1.967 8.769 1.00 5.15 C ATOM 1799 C MET A 112 15.884 -1.944 9.642 1.00 53.24 C ATOM 1800 O MET A 112 15.849 -2.638 10.667 1.00 11.11 O ATOM 1801 CB MET A 112 17.615 -0.511 8.421 1.00 72.34 C ATOM 1802 CG MET A 112 17.611 0.446 9.633 1.00 2.21 C ATOM 1803 SD MET A 112 18.475 -0.261 11.055 1.00 44.44 S ATOM 1804 CE MET A 112 17.712 0.592 12.434 1.00 1.22 C ATOM 0 H MET A 112 16.636 -2.257 6.733 1.00 75.52 H new ATOM 0 HA MET A 112 17.942 -2.454 9.364 1.00 5.15 H new ATOM 0 HB2 MET A 112 18.618 -0.539 7.995 1.00 72.34 H new ATOM 0 HB3 MET A 112 16.953 -0.112 7.652 1.00 72.34 H new ATOM 0 HG2 MET A 112 18.083 1.388 9.353 1.00 2.21 H new ATOM 0 HG3 MET A 112 16.582 0.675 9.911 1.00 2.21 H new ATOM 0 HE1 MET A 112 18.157 0.246 13.367 1.00 1.22 H new ATOM 0 HE2 MET A 112 17.873 1.665 12.332 1.00 1.22 H new ATOM 0 HE3 MET A 112 16.642 0.385 12.443 1.00 1.22 H new ATOM 1814 N LEU A 113 14.805 -1.242 9.171 1.00 74.44 N ATOM 1815 CA LEU A 113 13.547 -1.014 9.968 1.00 31.02 C ATOM 1816 C LEU A 113 12.610 0.053 9.306 1.00 25.12 C ATOM 1817 O LEU A 113 11.665 0.532 9.949 1.00 15.32 O ATOM 1818 CB LEU A 113 13.886 -0.560 11.439 1.00 43.53 C ATOM 1819 CG LEU A 113 12.756 -0.715 12.505 1.00 23.55 C ATOM 1820 CD1 LEU A 113 12.265 -2.180 12.606 1.00 53.31 C ATOM 1821 CD2 LEU A 113 13.218 -0.168 13.873 1.00 13.35 C ATOM 0 H LEU A 113 14.779 -0.822 8.242 1.00 74.44 H new ATOM 0 HA LEU A 113 13.020 -1.968 9.989 1.00 31.02 H new ATOM 0 HB2 LEU A 113 14.752 -1.128 11.778 1.00 43.53 H new ATOM 0 HB3 LEU A 113 14.184 0.488 11.410 1.00 43.53 H new ATOM 0 HG LEU A 113 11.903 -0.120 12.181 1.00 23.55 H new ATOM 0 HD11 LEU A 113 11.479 -2.249 13.358 1.00 53.31 H new ATOM 0 HD12 LEU A 113 11.873 -2.500 11.640 1.00 53.31 H new ATOM 0 HD13 LEU A 113 13.097 -2.824 12.891 1.00 53.31 H new ATOM 0 HD21 LEU A 113 12.416 -0.286 14.602 1.00 13.35 H new ATOM 0 HD22 LEU A 113 14.096 -0.720 14.208 1.00 13.35 H new ATOM 0 HD23 LEU A 113 13.469 0.888 13.777 1.00 13.35 H new ATOM 1833 N LEU A 114 12.870 0.405 8.024 1.00 60.21 N ATOM 1834 CA LEU A 114 12.136 1.465 7.254 1.00 34.32 C ATOM 1835 C LEU A 114 12.538 2.872 7.773 1.00 34.11 C ATOM 1836 O LEU A 114 11.960 3.892 7.399 1.00 71.44 O ATOM 1837 CB LEU A 114 10.573 1.224 7.255 1.00 20.35 C ATOM 1838 CG LEU A 114 9.770 1.514 5.938 1.00 72.32 C ATOM 1839 CD1 LEU A 114 8.330 0.961 6.029 1.00 72.12 C ATOM 1840 CD2 LEU A 114 9.749 3.014 5.544 1.00 42.42 C ATOM 0 H LEU A 114 13.606 -0.041 7.477 1.00 60.21 H new ATOM 0 HA LEU A 114 12.433 1.406 6.207 1.00 34.32 H new ATOM 0 HB2 LEU A 114 10.398 0.183 7.527 1.00 20.35 H new ATOM 0 HB3 LEU A 114 10.143 1.837 8.047 1.00 20.35 H new ATOM 0 HG LEU A 114 10.304 0.991 5.145 1.00 72.32 H new ATOM 0 HD11 LEU A 114 7.798 1.177 5.102 1.00 72.12 H new ATOM 0 HD12 LEU A 114 8.364 -0.117 6.185 1.00 72.12 H new ATOM 0 HD13 LEU A 114 7.811 1.433 6.863 1.00 72.12 H new ATOM 0 HD21 LEU A 114 9.177 3.141 4.625 1.00 42.42 H new ATOM 0 HD22 LEU A 114 9.286 3.594 6.343 1.00 42.42 H new ATOM 0 HD23 LEU A 114 10.770 3.363 5.387 1.00 42.42 H new