USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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 Single : A 1 MET CE :methyl -131:sc= -0.0617 (180deg=-0.983) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0262 (180deg=-0.00898) USER MOD Single : A 2 GLN :FLIP amide:sc= 0.394 F(o=-0.35,f=0.39) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -141:sc= -0.259 USER MOD Single : A 31 THR OG1 : rot 154:sc= 0.166 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.62!) USER MOD Single : A 37 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= -0.666 (180deg=-1.06) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00181 USER MOD Single : A 53 SER OG : rot -120:sc= -1.3 USER MOD Single : A 57 MET CE :methyl 167:sc=-0.00558 (180deg=-0.255) USER MOD Single : A 60 MET CE :methyl 162:sc= -0.944 (180deg=-2.02) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.43! K(o=-6.4!,f=-8.7) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -2.68 X(o=-2.7,f=-3!) USER MOD Single : A 75 MET CE :methyl 161:sc= -0.0204 (180deg=-0.202) USER MOD Single : A 81 MET CE :methyl -138:sc= -1.04 (180deg=-2.66!) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0.236 USER MOD Single : A 84 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.085) USER MOD Single : A 85 SER OG : rot 170:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc= 0.725 F(o=-0.36,f=0.72) USER MOD Single : A 101 TYR OH : rot -119:sc= 0.155 USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.529 (180deg=-0.87) USER MOD Single : A 120 SER OG : rot 82:sc= 1.17 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.473 -2.176 -1.614 1.00 3.33 N ATOM 2 CA MET A 1 0.304 -1.321 -1.780 1.00 52.42 C ATOM 3 C MET A 1 0.710 0.148 -1.857 1.00 23.43 C ATOM 4 O MET A 1 1.895 0.476 -1.797 1.00 13.22 O ATOM 5 CB MET A 1 -0.677 -1.531 -0.625 1.00 2.22 C ATOM 6 CG MET A 1 -1.930 -2.294 -1.022 1.00 64.43 C ATOM 7 SD MET A 1 -1.753 -4.076 -0.812 1.00 30.41 S ATOM 8 CE MET A 1 -1.046 -4.536 -2.392 1.00 41.52 C ATOM 0 H1 MET A 1 1.233 -2.976 -0.994 1.00 3.33 H new ATOM 0 H2 MET A 1 1.774 -2.536 -2.542 1.00 3.33 H new ATOM 0 H3 MET A 1 2.247 -1.627 -1.188 1.00 3.33 H new ATOM 0 HA MET A 1 -0.184 -1.594 -2.716 1.00 52.42 H new ATOM 0 HB2 MET A 1 -0.172 -2.070 0.176 1.00 2.22 H new ATOM 0 HB3 MET A 1 -0.965 -0.560 -0.223 1.00 2.22 H new ATOM 0 HG2 MET A 1 -2.770 -1.943 -0.422 1.00 64.43 H new ATOM 0 HG3 MET A 1 -2.169 -2.077 -2.063 1.00 64.43 H new ATOM 0 HE1 MET A 1 -1.599 -5.379 -2.806 1.00 41.52 H new ATOM 0 HE2 MET A 1 -1.106 -3.691 -3.077 1.00 41.52 H new ATOM 0 HE3 MET A 1 -0.002 -4.819 -2.255 1.00 41.52 H new ATOM 18 N GLN A 2 -0.279 1.025 -1.990 1.00 33.13 N ATOM 19 CA GLN A 2 -0.023 2.458 -2.075 1.00 62.34 C ATOM 20 C GLN A 2 -1.197 3.255 -1.518 1.00 11.22 C ATOM 21 O GLN A 2 -2.299 2.729 -1.361 1.00 61.22 O ATOM 22 CB GLN A 2 0.242 2.864 -3.526 1.00 72.02 C ATOM 23 CG GLN A 2 1.665 2.591 -3.984 1.00 44.14 C ATOM 24 CD GLN A 2 2.694 3.375 -3.192 1.00 73.55 C ATOM 25 OE1 GLN A 2 2.983 4.591 -3.639 1.00 23.43 O flip ATOM 26 NE2 GLN A 2 3.222 2.892 -2.191 1.00 3.25 N flip ATOM 0 H GLN A 2 -1.265 0.769 -2.041 1.00 33.13 H new ATOM 0 HA GLN A 2 0.860 2.680 -1.475 1.00 62.34 H new ATOM 0 HB2 GLN A 2 -0.449 2.328 -4.176 1.00 72.02 H new ATOM 0 HB3 GLN A 2 0.030 3.927 -3.642 1.00 72.02 H new ATOM 0 HG2 GLN A 2 1.875 1.525 -3.890 1.00 44.14 H new ATOM 0 HG3 GLN A 2 1.757 2.842 -5.041 1.00 44.14 H new ATOM 0 HE21 GLN A 2 2.969 1.953 -1.884 1.00 3.25 H new ATOM 0 HE22 GLN A 2 3.913 3.431 -1.668 1.00 3.25 H new ATOM 35 N ARG A 3 -0.954 4.527 -1.220 1.00 3.35 N ATOM 36 CA ARG A 3 -1.991 5.397 -0.678 1.00 21.13 C ATOM 37 C ARG A 3 -2.437 4.917 0.700 1.00 15.13 C ATOM 38 O ARG A 3 -2.351 3.731 1.014 1.00 74.43 O ATOM 39 CB ARG A 3 -3.191 5.447 -1.626 1.00 4.35 C ATOM 40 CG ARG A 3 -4.164 6.573 -1.317 1.00 3.31 C ATOM 41 CD ARG A 3 -5.346 6.079 -0.498 1.00 40.01 C ATOM 42 NE ARG A 3 -6.531 5.861 -1.324 1.00 2.33 N ATOM 43 CZ ARG A 3 -7.666 5.350 -0.860 1.00 64.53 C ATOM 44 NH1 ARG A 3 -7.769 5.005 0.416 1.00 41.11 N ATOM 45 NH2 ARG A 3 -8.700 5.182 -1.674 1.00 33.11 N ATOM 0 H ARG A 3 -0.048 4.978 -1.345 1.00 3.35 H new ATOM 0 HA ARG A 3 -1.574 6.399 -0.577 1.00 21.13 H new ATOM 0 HB2 ARG A 3 -2.831 5.560 -2.649 1.00 4.35 H new ATOM 0 HB3 ARG A 3 -3.722 4.496 -1.578 1.00 4.35 H new ATOM 0 HG2 ARG A 3 -3.647 7.363 -0.772 1.00 3.31 H new ATOM 0 HG3 ARG A 3 -4.523 7.011 -2.248 1.00 3.31 H new ATOM 0 HD2 ARG A 3 -5.077 5.149 0.003 1.00 40.01 H new ATOM 0 HD3 ARG A 3 -5.576 6.805 0.281 1.00 40.01 H new ATOM 0 HE ARG A 3 -6.484 6.115 -2.311 1.00 2.33 H new ATOM 0 HH11 ARG A 3 -6.975 5.132 1.044 1.00 41.11 H new ATOM 0 HH12 ARG A 3 -8.642 4.613 0.769 1.00 41.11 H new ATOM 0 HH21 ARG A 3 -8.624 5.445 -2.656 1.00 33.11 H new ATOM 0 HH22 ARG A 3 -9.571 4.790 -1.317 1.00 33.11 H new ATOM 59 N GLY A 4 -2.915 5.849 1.520 1.00 43.00 N ATOM 60 CA GLY A 4 -3.367 5.502 2.855 1.00 41.05 C ATOM 61 C GLY A 4 -3.891 6.701 3.619 1.00 4.44 C ATOM 62 O GLY A 4 -3.779 7.837 3.158 1.00 45.44 O ATOM 0 H GLY A 4 -2.997 6.838 1.283 1.00 43.00 H new ATOM 0 HA2 GLY A 4 -4.151 4.748 2.785 1.00 41.05 H new ATOM 0 HA3 GLY A 4 -2.543 5.054 3.409 1.00 41.05 H new ATOM 66 N ILE A 5 -4.465 6.449 4.791 1.00 53.34 N ATOM 67 CA ILE A 5 -5.009 7.518 5.620 1.00 24.30 C ATOM 68 C ILE A 5 -3.894 8.334 6.264 1.00 3.53 C ATOM 69 O ILE A 5 -3.022 7.790 6.942 1.00 61.54 O ATOM 70 CB ILE A 5 -5.926 6.961 6.725 1.00 53.43 C ATOM 71 CG1 ILE A 5 -7.093 6.188 6.107 1.00 20.32 C ATOM 72 CG2 ILE A 5 -6.440 8.091 7.605 1.00 24.24 C ATOM 73 CD1 ILE A 5 -8.049 5.617 7.131 1.00 24.43 C ATOM 0 H ILE A 5 -4.565 5.515 5.188 1.00 53.34 H new ATOM 0 HA ILE A 5 -5.594 8.161 4.963 1.00 24.30 H new ATOM 0 HB ILE A 5 -5.349 6.276 7.346 1.00 53.43 H new ATOM 0 HG12 ILE A 5 -7.643 6.850 5.438 1.00 20.32 H new ATOM 0 HG13 ILE A 5 -6.698 5.375 5.498 1.00 20.32 H new ATOM 0 HG21 ILE A 5 -7.087 7.682 8.381 1.00 24.24 H new ATOM 0 HG22 ILE A 5 -5.597 8.604 8.068 1.00 24.24 H new ATOM 0 HG23 ILE A 5 -7.005 8.797 6.997 1.00 24.24 H new ATOM 0 HD11 ILE A 5 -8.851 5.082 6.622 1.00 24.43 H new ATOM 0 HD12 ILE A 5 -7.513 4.930 7.786 1.00 24.43 H new ATOM 0 HD13 ILE A 5 -8.473 6.427 7.725 1.00 24.43 H new ATOM 85 N VAL A 6 -3.929 9.646 6.050 1.00 23.11 N ATOM 86 CA VAL A 6 -2.923 10.539 6.612 1.00 10.53 C ATOM 87 C VAL A 6 -3.545 11.507 7.613 1.00 31.53 C ATOM 88 O VAL A 6 -4.193 12.480 7.230 1.00 15.31 O ATOM 89 CB VAL A 6 -2.210 11.346 5.511 1.00 53.24 C ATOM 90 CG1 VAL A 6 -1.219 12.325 6.122 1.00 54.13 C ATOM 91 CG2 VAL A 6 -1.515 10.412 4.532 1.00 22.11 C ATOM 0 H VAL A 6 -4.643 10.113 5.492 1.00 23.11 H new ATOM 0 HA VAL A 6 -2.193 9.911 7.123 1.00 10.53 H new ATOM 0 HB VAL A 6 -2.958 11.919 4.963 1.00 53.24 H new ATOM 0 HG11 VAL A 6 -0.725 12.886 5.328 1.00 54.13 H new ATOM 0 HG12 VAL A 6 -1.748 13.015 6.779 1.00 54.13 H new ATOM 0 HG13 VAL A 6 -0.473 11.776 6.697 1.00 54.13 H new ATOM 0 HG21 VAL A 6 -1.016 10.999 3.761 1.00 22.11 H new ATOM 0 HG22 VAL A 6 -0.778 9.811 5.064 1.00 22.11 H new ATOM 0 HG23 VAL A 6 -2.252 9.756 4.069 1.00 22.11 H new ATOM 101 N TRP A 7 -3.343 11.232 8.897 1.00 61.43 N ATOM 102 CA TRP A 7 -3.884 12.078 9.954 1.00 41.31 C ATOM 103 C TRP A 7 -2.794 12.954 10.562 1.00 64.41 C ATOM 104 O TRP A 7 -1.873 12.455 11.210 1.00 12.31 O ATOM 105 CB TRP A 7 -4.532 11.220 11.042 1.00 63.14 C ATOM 106 CG TRP A 7 -5.859 10.652 10.638 1.00 22.13 C ATOM 107 CD1 TRP A 7 -6.470 10.781 9.424 1.00 34.51 C ATOM 108 CD2 TRP A 7 -6.738 9.868 11.452 1.00 72.23 C ATOM 109 NE1 TRP A 7 -7.677 10.123 9.434 1.00 52.54 N ATOM 110 CE2 TRP A 7 -7.864 9.555 10.666 1.00 73.44 C ATOM 111 CE3 TRP A 7 -6.683 9.398 12.767 1.00 71.14 C ATOM 112 CZ2 TRP A 7 -8.924 8.795 11.153 1.00 32.13 C ATOM 113 CZ3 TRP A 7 -7.736 8.644 13.249 1.00 10.33 C ATOM 114 CH2 TRP A 7 -8.844 8.348 12.444 1.00 0.02 C ATOM 0 H TRP A 7 -2.809 10.430 9.231 1.00 61.43 H new ATOM 0 HA TRP A 7 -4.642 12.726 9.514 1.00 41.31 H new ATOM 0 HB2 TRP A 7 -3.858 10.403 11.300 1.00 63.14 H new ATOM 0 HB3 TRP A 7 -4.661 11.822 11.941 1.00 63.14 H new ATOM 0 HD1 TRP A 7 -6.065 11.320 8.580 1.00 34.51 H new ATOM 0 HE1 TRP A 7 -8.328 10.067 8.651 1.00 52.54 H new ATOM 0 HE3 TRP A 7 -5.833 9.620 13.395 1.00 71.14 H new ATOM 0 HZ2 TRP A 7 -9.779 8.566 10.534 1.00 32.13 H new ATOM 0 HZ3 TRP A 7 -7.704 8.276 14.264 1.00 10.33 H new ATOM 0 HH2 TRP A 7 -9.651 7.756 12.850 1.00 0.02 H new ATOM 125 N VAL A 8 -2.903 14.261 10.349 1.00 41.20 N ATOM 126 CA VAL A 8 -1.926 15.206 10.878 1.00 54.14 C ATOM 127 C VAL A 8 -2.577 16.182 11.851 1.00 54.41 C ATOM 128 O VAL A 8 -3.373 17.034 11.454 1.00 31.20 O ATOM 129 CB VAL A 8 -1.246 16.002 9.748 1.00 74.35 C ATOM 130 CG1 VAL A 8 -0.089 16.823 10.294 1.00 24.22 C ATOM 131 CG2 VAL A 8 -0.773 15.064 8.647 1.00 51.31 C ATOM 0 H VAL A 8 -3.658 14.690 9.814 1.00 41.20 H new ATOM 0 HA VAL A 8 -1.172 14.621 11.404 1.00 54.14 H new ATOM 0 HB VAL A 8 -1.976 16.689 9.320 1.00 74.35 H new ATOM 0 HG11 VAL A 8 0.379 17.378 9.481 1.00 24.22 H new ATOM 0 HG12 VAL A 8 -0.460 17.522 11.044 1.00 24.22 H new ATOM 0 HG13 VAL A 8 0.646 16.159 10.749 1.00 24.22 H new ATOM 0 HG21 VAL A 8 -0.295 15.643 7.857 1.00 51.31 H new ATOM 0 HG22 VAL A 8 -0.058 14.352 9.058 1.00 51.31 H new ATOM 0 HG23 VAL A 8 -1.627 14.525 8.236 1.00 51.31 H new ATOM 141 N VAL A 9 -2.234 16.054 13.128 1.00 23.55 N ATOM 142 CA VAL A 9 -2.783 16.925 14.160 1.00 53.53 C ATOM 143 C VAL A 9 -1.773 17.988 14.577 1.00 42.35 C ATOM 144 O VAL A 9 -0.719 17.674 15.130 1.00 41.40 O ATOM 145 CB VAL A 9 -3.211 16.124 15.403 1.00 21.43 C ATOM 146 CG1 VAL A 9 -2.014 15.417 16.021 1.00 60.44 C ATOM 147 CG2 VAL A 9 -3.884 17.035 16.419 1.00 72.35 C ATOM 0 H VAL A 9 -1.577 15.354 13.473 1.00 23.55 H new ATOM 0 HA VAL A 9 -3.660 17.409 13.730 1.00 53.53 H new ATOM 0 HB VAL A 9 -3.932 15.367 15.095 1.00 21.43 H new ATOM 0 HG11 VAL A 9 -2.336 14.856 16.898 1.00 60.44 H new ATOM 0 HG12 VAL A 9 -1.579 14.733 15.292 1.00 60.44 H new ATOM 0 HG13 VAL A 9 -1.268 16.155 16.316 1.00 60.44 H new ATOM 0 HG21 VAL A 9 -4.180 16.452 17.291 1.00 72.35 H new ATOM 0 HG22 VAL A 9 -3.188 17.816 16.724 1.00 72.35 H new ATOM 0 HG23 VAL A 9 -4.767 17.490 15.971 1.00 72.35 H new ATOM 157 N ASP A 10 -2.102 19.247 14.308 1.00 63.15 N ATOM 158 CA ASP A 10 -1.224 20.358 14.656 1.00 24.21 C ATOM 159 C ASP A 10 -1.993 21.675 14.671 1.00 71.12 C ATOM 160 O ASP A 10 -3.113 21.757 14.165 1.00 23.23 O ATOM 161 CB ASP A 10 -0.059 20.444 13.669 1.00 41.45 C ATOM 162 CG ASP A 10 -0.499 20.906 12.293 1.00 31.21 C ATOM 163 OD1 ASP A 10 -0.570 22.133 12.073 1.00 3.31 O ATOM 164 OD2 ASP A 10 -0.772 20.039 11.436 1.00 12.54 O ATOM 0 H ASP A 10 -2.970 19.523 13.850 1.00 63.15 H new ATOM 0 HA ASP A 10 -0.830 20.177 15.656 1.00 24.21 H new ATOM 0 HB2 ASP A 10 0.692 21.132 14.057 1.00 41.45 H new ATOM 0 HB3 ASP A 10 0.416 19.467 13.586 1.00 41.45 H new ATOM 169 N ASP A 11 -1.386 22.702 15.254 1.00 0.32 N ATOM 170 CA ASP A 11 -2.014 24.016 15.335 1.00 1.01 C ATOM 171 C ASP A 11 -1.327 25.005 14.399 1.00 50.23 C ATOM 172 O ASP A 11 -0.499 25.809 14.828 1.00 63.43 O ATOM 173 CB ASP A 11 -1.969 24.539 16.772 1.00 64.13 C ATOM 174 CG ASP A 11 -3.128 25.463 17.088 1.00 30.14 C ATOM 175 OD1 ASP A 11 -3.076 26.642 16.681 1.00 43.44 O ATOM 176 OD2 ASP A 11 -4.088 25.006 17.743 1.00 12.52 O ATOM 0 H ASP A 11 -0.460 22.651 15.678 1.00 0.32 H new ATOM 0 HA ASP A 11 -3.054 23.914 15.026 1.00 1.01 H new ATOM 0 HB2 ASP A 11 -1.981 23.696 17.463 1.00 64.13 H new ATOM 0 HB3 ASP A 11 -1.031 25.070 16.933 1.00 64.13 H new ATOM 181 N ASP A 12 -1.676 24.940 13.119 1.00 60.04 N ATOM 182 CA ASP A 12 -1.093 25.830 12.121 1.00 72.20 C ATOM 183 C ASP A 12 -1.678 25.554 10.739 1.00 11.33 C ATOM 184 O ASP A 12 -1.544 24.453 10.206 1.00 44.24 O ATOM 185 CB ASP A 12 0.427 25.666 12.087 1.00 41.43 C ATOM 186 CG ASP A 12 1.155 26.927 12.512 1.00 35.45 C ATOM 187 OD1 ASP A 12 0.600 27.682 13.339 1.00 63.51 O ATOM 188 OD2 ASP A 12 2.278 27.157 12.020 1.00 44.41 O ATOM 0 H ASP A 12 -2.360 24.280 12.748 1.00 60.04 H new ATOM 0 HA ASP A 12 -1.334 26.856 12.399 1.00 72.20 H new ATOM 0 HB2 ASP A 12 0.716 24.845 12.743 1.00 41.43 H new ATOM 0 HB3 ASP A 12 0.738 25.393 11.079 1.00 41.43 H new ATOM 193 N SER A 13 -2.329 26.562 10.166 1.00 64.31 N ATOM 194 CA SER A 13 -2.939 26.427 8.848 1.00 24.53 C ATOM 195 C SER A 13 -1.874 26.217 7.776 1.00 70.52 C ATOM 196 O SER A 13 -2.140 25.627 6.728 1.00 31.05 O ATOM 197 CB SER A 13 -3.772 27.666 8.519 1.00 14.34 C ATOM 198 OG SER A 13 -4.753 27.900 9.515 1.00 1.44 O ATOM 0 H SER A 13 -2.447 27.480 10.594 1.00 64.31 H new ATOM 0 HA SER A 13 -3.591 25.554 8.864 1.00 24.53 H new ATOM 0 HB2 SER A 13 -3.120 28.535 8.435 1.00 14.34 H new ATOM 0 HB3 SER A 13 -4.256 27.536 7.551 1.00 14.34 H new ATOM 0 HG SER A 13 -5.271 28.699 9.282 1.00 1.44 H new ATOM 204 N SER A 14 -0.667 26.704 8.046 1.00 71.35 N ATOM 205 CA SER A 14 0.438 26.574 7.103 1.00 71.40 C ATOM 206 C SER A 14 0.789 25.106 6.876 1.00 14.22 C ATOM 207 O SER A 14 0.802 24.628 5.741 1.00 2.34 O ATOM 208 CB SER A 14 1.665 27.330 7.616 1.00 61.43 C ATOM 209 OG SER A 14 2.630 27.491 6.590 1.00 20.35 O ATOM 0 H SER A 14 -0.429 27.192 8.910 1.00 71.35 H new ATOM 0 HA SER A 14 0.125 27.006 6.152 1.00 71.40 H new ATOM 0 HB2 SER A 14 1.363 28.307 7.992 1.00 61.43 H new ATOM 0 HB3 SER A 14 2.106 26.789 8.453 1.00 61.43 H new ATOM 0 HG SER A 14 3.404 27.978 6.942 1.00 20.35 H new ATOM 215 N ILE A 15 1.072 24.397 7.964 1.00 55.22 N ATOM 216 CA ILE A 15 1.421 22.984 7.885 1.00 42.44 C ATOM 217 C ILE A 15 0.267 22.163 7.321 1.00 54.11 C ATOM 218 O ILE A 15 0.479 21.135 6.678 1.00 33.33 O ATOM 219 CB ILE A 15 1.810 22.423 9.265 1.00 64.53 C ATOM 220 CG1 ILE A 15 2.810 23.353 9.955 1.00 32.01 C ATOM 221 CG2 ILE A 15 2.392 21.024 9.122 1.00 32.23 C ATOM 222 CD1 ILE A 15 4.045 23.634 9.128 1.00 73.00 C ATOM 0 H ILE A 15 1.066 24.778 8.910 1.00 55.22 H new ATOM 0 HA ILE A 15 2.278 22.907 7.216 1.00 42.44 H new ATOM 0 HB ILE A 15 0.914 22.362 9.882 1.00 64.53 H new ATOM 0 HG12 ILE A 15 2.316 24.296 10.187 1.00 32.01 H new ATOM 0 HG13 ILE A 15 3.111 22.909 10.904 1.00 32.01 H new ATOM 0 HG21 ILE A 15 2.662 20.640 10.106 1.00 32.23 H new ATOM 0 HG22 ILE A 15 1.651 20.367 8.667 1.00 32.23 H new ATOM 0 HG23 ILE A 15 3.280 21.062 8.491 1.00 32.23 H new ATOM 0 HD11 ILE A 15 4.709 24.300 9.680 1.00 73.00 H new ATOM 0 HD12 ILE A 15 4.563 22.698 8.918 1.00 73.00 H new ATOM 0 HD13 ILE A 15 3.755 24.107 8.190 1.00 73.00 H new ATOM 234 N ARG A 16 -0.955 22.625 7.565 1.00 54.23 N ATOM 235 CA ARG A 16 -2.144 21.934 7.081 1.00 72.21 C ATOM 236 C ARG A 16 -2.321 22.141 5.579 1.00 5.15 C ATOM 237 O ARG A 16 -2.765 21.241 4.867 1.00 43.13 O ATOM 238 CB ARG A 16 -3.386 22.429 7.824 1.00 12.12 C ATOM 239 CG ARG A 16 -3.282 22.303 9.335 1.00 32.04 C ATOM 240 CD ARG A 16 -4.290 21.303 9.882 1.00 44.44 C ATOM 241 NE ARG A 16 -5.653 21.825 9.846 1.00 51.40 N ATOM 242 CZ ARG A 16 -6.088 22.800 10.637 1.00 42.00 C ATOM 243 NH1 ARG A 16 -5.270 23.356 11.520 1.00 30.13 N ATOM 244 NH2 ARG A 16 -7.343 23.221 10.545 1.00 62.01 N ATOM 0 H ARG A 16 -1.148 23.475 8.095 1.00 54.23 H new ATOM 0 HA ARG A 16 -2.016 20.868 7.271 1.00 72.21 H new ATOM 0 HB2 ARG A 16 -3.561 23.473 7.566 1.00 12.12 H new ATOM 0 HB3 ARG A 16 -4.253 21.866 7.480 1.00 12.12 H new ATOM 0 HG2 ARG A 16 -2.274 21.990 9.607 1.00 32.04 H new ATOM 0 HG3 ARG A 16 -3.448 23.277 9.795 1.00 32.04 H new ATOM 0 HD2 ARG A 16 -4.239 20.382 9.301 1.00 44.44 H new ATOM 0 HD3 ARG A 16 -4.027 21.047 10.908 1.00 44.44 H new ATOM 0 HE ARG A 16 -6.307 21.419 9.177 1.00 51.40 H new ATOM 0 HH11 ARG A 16 -4.304 23.035 11.593 1.00 30.13 H new ATOM 0 HH12 ARG A 16 -5.606 24.104 12.126 1.00 30.13 H new ATOM 0 HH21 ARG A 16 -7.975 22.796 9.866 1.00 62.01 H new ATOM 0 HH22 ARG A 16 -7.676 23.970 11.153 1.00 62.01 H new ATOM 258 N TRP A 17 -1.970 23.332 5.107 1.00 33.21 N ATOM 259 CA TRP A 17 -2.090 23.657 3.690 1.00 15.34 C ATOM 260 C TRP A 17 -1.080 22.871 2.863 1.00 25.35 C ATOM 261 O TRP A 17 -1.452 22.106 1.973 1.00 3.31 O ATOM 262 CB TRP A 17 -1.889 25.158 3.472 1.00 74.21 C ATOM 263 CG TRP A 17 -1.602 25.517 2.045 1.00 13.25 C ATOM 264 CD1 TRP A 17 -2.491 25.529 1.008 1.00 22.54 C ATOM 265 CD2 TRP A 17 -0.340 25.915 1.499 1.00 10.14 C ATOM 266 NE1 TRP A 17 -1.857 25.910 -0.150 1.00 22.44 N ATOM 267 CE2 TRP A 17 -0.537 26.153 0.125 1.00 11.21 C ATOM 268 CE3 TRP A 17 0.937 26.096 2.038 1.00 72.42 C ATOM 269 CZ2 TRP A 17 0.496 26.560 -0.715 1.00 53.51 C ATOM 270 CZ3 TRP A 17 1.961 26.500 1.203 1.00 71.55 C ATOM 271 CH2 TRP A 17 1.736 26.729 -0.161 1.00 54.23 C ATOM 0 H TRP A 17 -1.600 24.088 5.684 1.00 33.21 H new ATOM 0 HA TRP A 17 -3.092 23.380 3.363 1.00 15.34 H new ATOM 0 HB2 TRP A 17 -2.783 25.689 3.800 1.00 74.21 H new ATOM 0 HB3 TRP A 17 -1.066 25.502 4.098 1.00 74.21 H new ATOM 0 HD1 TRP A 17 -3.538 25.276 1.087 1.00 22.54 H new ATOM 0 HE1 TRP A 17 -2.298 25.998 -1.066 1.00 22.44 H new ATOM 0 HE3 TRP A 17 1.120 25.923 3.088 1.00 72.42 H new ATOM 0 HZ2 TRP A 17 0.325 26.736 -1.767 1.00 53.51 H new ATOM 0 HZ3 TRP A 17 2.952 26.642 1.609 1.00 71.55 H new ATOM 0 HH2 TRP A 17 2.557 27.045 -0.787 1.00 54.23 H new ATOM 282 N VAL A 18 0.201 23.063 3.163 1.00 22.53 N ATOM 283 CA VAL A 18 1.266 22.369 2.448 1.00 50.40 C ATOM 284 C VAL A 18 1.000 20.870 2.386 1.00 63.53 C ATOM 285 O VAL A 18 1.321 20.212 1.395 1.00 73.42 O ATOM 286 CB VAL A 18 2.636 22.610 3.110 1.00 72.01 C ATOM 287 CG1 VAL A 18 3.180 23.979 2.730 1.00 71.55 C ATOM 288 CG2 VAL A 18 2.529 22.471 4.621 1.00 73.21 C ATOM 0 H VAL A 18 0.526 23.693 3.896 1.00 22.53 H new ATOM 0 HA VAL A 18 1.284 22.774 1.436 1.00 50.40 H new ATOM 0 HB VAL A 18 3.333 21.855 2.747 1.00 72.01 H new ATOM 0 HG11 VAL A 18 4.148 24.131 3.207 1.00 71.55 H new ATOM 0 HG12 VAL A 18 3.296 24.037 1.648 1.00 71.55 H new ATOM 0 HG13 VAL A 18 2.486 24.751 3.063 1.00 71.55 H new ATOM 0 HG21 VAL A 18 3.506 22.644 5.072 1.00 73.21 H new ATOM 0 HG22 VAL A 18 1.817 23.202 5.004 1.00 73.21 H new ATOM 0 HG23 VAL A 18 2.187 21.467 4.871 1.00 73.21 H new ATOM 298 N LEU A 19 0.412 20.334 3.450 1.00 63.13 N ATOM 299 CA LEU A 19 0.102 18.910 3.517 1.00 41.03 C ATOM 300 C LEU A 19 -0.932 18.528 2.462 1.00 23.33 C ATOM 301 O LEU A 19 -0.691 17.650 1.634 1.00 15.11 O ATOM 302 CB LEU A 19 -0.415 18.546 4.910 1.00 64.54 C ATOM 303 CG LEU A 19 0.645 18.128 5.930 1.00 34.42 C ATOM 304 CD1 LEU A 19 0.004 17.849 7.281 1.00 73.42 C ATOM 305 CD2 LEU A 19 1.408 16.907 5.437 1.00 35.44 C ATOM 0 H LEU A 19 0.140 20.864 4.278 1.00 63.13 H new ATOM 0 HA LEU A 19 1.018 18.354 3.319 1.00 41.03 H new ATOM 0 HB2 LEU A 19 -0.958 19.403 5.310 1.00 64.54 H new ATOM 0 HB3 LEU A 19 -1.134 17.733 4.808 1.00 64.54 H new ATOM 0 HG LEU A 19 1.352 18.949 6.048 1.00 34.42 H new ATOM 0 HD11 LEU A 19 0.773 17.553 7.994 1.00 73.42 H new ATOM 0 HD12 LEU A 19 -0.496 18.749 7.639 1.00 73.42 H new ATOM 0 HD13 LEU A 19 -0.725 17.045 7.179 1.00 73.42 H new ATOM 0 HD21 LEU A 19 2.158 16.624 6.176 1.00 35.44 H new ATOM 0 HD22 LEU A 19 0.714 16.080 5.289 1.00 35.44 H new ATOM 0 HD23 LEU A 19 1.899 17.142 4.493 1.00 35.44 H new ATOM 317 N GLU A 20 -2.081 19.194 2.499 1.00 53.41 N ATOM 318 CA GLU A 20 -3.151 18.925 1.545 1.00 23.40 C ATOM 319 C GLU A 20 -2.629 18.984 0.112 1.00 33.31 C ATOM 320 O GLU A 20 -2.949 18.127 -0.712 1.00 34.21 O ATOM 321 CB GLU A 20 -4.291 19.929 1.726 1.00 32.52 C ATOM 322 CG GLU A 20 -5.434 19.735 0.743 1.00 2.55 C ATOM 323 CD GLU A 20 -6.762 20.219 1.291 1.00 14.52 C ATOM 324 OE1 GLU A 20 -7.215 19.675 2.320 1.00 65.02 O ATOM 325 OE2 GLU A 20 -7.350 21.144 0.690 1.00 23.44 O ATOM 0 H GLU A 20 -2.295 19.924 3.179 1.00 53.41 H new ATOM 0 HA GLU A 20 -3.529 17.920 1.735 1.00 23.40 H new ATOM 0 HB2 GLU A 20 -4.678 19.847 2.742 1.00 32.52 H new ATOM 0 HB3 GLU A 20 -3.896 20.939 1.616 1.00 32.52 H new ATOM 0 HG2 GLU A 20 -5.209 20.270 -0.180 1.00 2.55 H new ATOM 0 HG3 GLU A 20 -5.514 18.678 0.488 1.00 2.55 H new ATOM 332 N ARG A 21 -1.825 20.001 -0.177 1.00 50.32 N ATOM 333 CA ARG A 21 -1.261 20.174 -1.510 1.00 65.03 C ATOM 334 C ARG A 21 -0.448 18.949 -1.920 1.00 32.25 C ATOM 335 O ARG A 21 -0.288 18.666 -3.106 1.00 53.15 O ATOM 336 CB ARG A 21 -0.378 21.423 -1.556 1.00 31.32 C ATOM 337 CG ARG A 21 -0.685 22.343 -2.726 1.00 62.11 C ATOM 338 CD ARG A 21 0.221 23.564 -2.727 1.00 2.23 C ATOM 339 NE ARG A 21 1.111 23.585 -3.885 1.00 11.14 N ATOM 340 CZ ARG A 21 0.694 23.793 -5.129 1.00 35.45 C ATOM 341 NH1 ARG A 21 -0.593 23.996 -5.374 1.00 54.22 N ATOM 342 NH2 ARG A 21 1.564 23.797 -6.130 1.00 2.12 N ATOM 0 H ARG A 21 -1.549 20.718 0.494 1.00 50.32 H new ATOM 0 HA ARG A 21 -2.086 20.294 -2.213 1.00 65.03 H new ATOM 0 HB2 ARG A 21 -0.500 21.978 -0.626 1.00 31.32 H new ATOM 0 HB3 ARG A 21 0.667 21.117 -1.610 1.00 31.32 H new ATOM 0 HG2 ARG A 21 -0.563 21.797 -3.661 1.00 62.11 H new ATOM 0 HG3 ARG A 21 -1.726 22.661 -2.677 1.00 62.11 H new ATOM 0 HD2 ARG A 21 -0.389 24.468 -2.722 1.00 2.23 H new ATOM 0 HD3 ARG A 21 0.815 23.575 -1.813 1.00 2.23 H new ATOM 0 HE ARG A 21 2.107 23.432 -3.730 1.00 11.14 H new ATOM 0 HH11 ARG A 21 -1.265 23.993 -4.607 1.00 54.22 H new ATOM 0 HH12 ARG A 21 -0.911 24.156 -6.330 1.00 54.22 H new ATOM 0 HH21 ARG A 21 2.555 23.640 -5.945 1.00 2.12 H new ATOM 0 HH22 ARG A 21 1.242 23.957 -7.085 1.00 2.12 H new ATOM 356 N ALA A 22 0.063 18.226 -0.928 1.00 72.03 N ATOM 357 CA ALA A 22 0.857 17.031 -1.185 1.00 60.00 C ATOM 358 C ALA A 22 -0.029 15.794 -1.288 1.00 13.42 C ATOM 359 O ALA A 22 -0.035 15.105 -2.308 1.00 63.25 O ATOM 360 CB ALA A 22 1.900 16.846 -0.093 1.00 20.21 C ATOM 0 H ALA A 22 -0.059 18.447 0.060 1.00 72.03 H new ATOM 0 HA ALA A 22 1.366 17.161 -2.140 1.00 60.00 H new ATOM 0 HB1 ALA A 22 2.486 15.950 -0.297 1.00 20.21 H new ATOM 0 HB2 ALA A 22 2.560 17.713 -0.069 1.00 20.21 H new ATOM 0 HB3 ALA A 22 1.403 16.742 0.871 1.00 20.21 H new ATOM 366 N LEU A 23 -0.777 15.518 -0.225 1.00 51.31 N ATOM 367 CA LEU A 23 -1.668 14.363 -0.195 1.00 42.34 C ATOM 368 C LEU A 23 -2.704 14.446 -1.312 1.00 22.21 C ATOM 369 O LEU A 23 -2.779 13.565 -2.168 1.00 51.33 O ATOM 370 CB LEU A 23 -2.369 14.270 1.161 1.00 51.12 C ATOM 371 CG LEU A 23 -1.491 14.513 2.389 1.00 62.22 C ATOM 372 CD1 LEU A 23 -2.296 14.329 3.666 1.00 51.33 C ATOM 373 CD2 LEU A 23 -0.288 13.581 2.376 1.00 4.33 C ATOM 0 H LEU A 23 -0.784 16.078 0.627 1.00 51.31 H new ATOM 0 HA LEU A 23 -1.067 13.467 -0.348 1.00 42.34 H new ATOM 0 HB2 LEU A 23 -3.186 14.991 1.175 1.00 51.12 H new ATOM 0 HB3 LEU A 23 -2.816 13.280 1.249 1.00 51.12 H new ATOM 0 HG LEU A 23 -1.130 15.541 2.357 1.00 62.22 H new ATOM 0 HD11 LEU A 23 -1.654 14.506 4.529 1.00 51.33 H new ATOM 0 HD12 LEU A 23 -3.125 15.037 3.679 1.00 51.33 H new ATOM 0 HD13 LEU A 23 -2.686 13.312 3.707 1.00 51.33 H new ATOM 0 HD21 LEU A 23 0.326 13.767 3.257 1.00 4.33 H new ATOM 0 HD22 LEU A 23 -0.630 12.546 2.384 1.00 4.33 H new ATOM 0 HD23 LEU A 23 0.302 13.761 1.478 1.00 4.33 H new ATOM 385 N ALA A 24 -3.499 15.510 -1.297 1.00 0.52 N ATOM 386 CA ALA A 24 -4.527 15.710 -2.310 1.00 55.21 C ATOM 387 C ALA A 24 -3.930 15.680 -3.713 1.00 5.24 C ATOM 388 O ALA A 24 -4.622 15.389 -4.687 1.00 42.30 O ATOM 389 CB ALA A 24 -5.254 17.026 -2.072 1.00 74.52 C ATOM 0 H ALA A 24 -3.451 16.247 -0.594 1.00 0.52 H new ATOM 0 HA ALA A 24 -5.243 14.892 -2.231 1.00 55.21 H new ATOM 0 HB1 ALA A 24 -6.019 17.162 -2.836 1.00 74.52 H new ATOM 0 HB2 ALA A 24 -5.723 17.010 -1.088 1.00 74.52 H new ATOM 0 HB3 ALA A 24 -4.541 17.849 -2.121 1.00 74.52 H new ATOM 395 N GLY A 25 -2.638 15.984 -3.807 1.00 74.13 N ATOM 396 CA GLY A 25 -1.970 15.987 -5.095 1.00 64.42 C ATOM 397 C GLY A 25 -1.459 14.614 -5.486 1.00 3.00 C ATOM 398 O GLY A 25 -1.342 14.302 -6.671 1.00 5.14 O ATOM 0 H GLY A 25 -2.044 16.228 -3.015 1.00 74.13 H new ATOM 0 HA2 GLY A 25 -2.661 16.345 -5.858 1.00 64.42 H new ATOM 0 HA3 GLY A 25 -1.135 16.687 -5.066 1.00 64.42 H new ATOM 402 N ALA A 26 -1.152 13.792 -4.488 1.00 11.14 N ATOM 403 CA ALA A 26 -0.651 12.445 -4.733 1.00 51.52 C ATOM 404 C ALA A 26 -1.759 11.410 -4.572 1.00 23.21 C ATOM 405 O ALA A 26 -1.518 10.208 -4.678 1.00 34.00 O ATOM 406 CB ALA A 26 0.506 12.134 -3.796 1.00 21.22 C ATOM 0 H ALA A 26 -1.242 14.035 -3.502 1.00 11.14 H new ATOM 0 HA ALA A 26 -0.293 12.398 -5.761 1.00 51.52 H new ATOM 0 HB1 ALA A 26 0.870 11.125 -3.990 1.00 21.22 H new ATOM 0 HB2 ALA A 26 1.312 12.849 -3.963 1.00 21.22 H new ATOM 0 HB3 ALA A 26 0.166 12.205 -2.763 1.00 21.22 H new ATOM 412 N GLY A 27 -2.974 11.884 -4.314 1.00 43.51 N ATOM 413 CA GLY A 27 -4.100 10.986 -4.141 1.00 70.34 C ATOM 414 C GLY A 27 -4.246 10.507 -2.711 1.00 1.25 C ATOM 415 O GLY A 27 -5.258 9.905 -2.349 1.00 41.14 O ATOM 0 H GLY A 27 -3.198 12.875 -4.222 1.00 43.51 H new ATOM 0 HA2 GLY A 27 -5.015 11.493 -4.446 1.00 70.34 H new ATOM 0 HA3 GLY A 27 -3.978 10.125 -4.798 1.00 70.34 H new ATOM 419 N LEU A 28 -3.233 10.773 -1.893 1.00 42.24 N ATOM 420 CA LEU A 28 -3.252 10.364 -0.493 1.00 44.12 C ATOM 421 C LEU A 28 -4.401 11.032 0.254 1.00 53.30 C ATOM 422 O LEU A 28 -4.701 12.206 0.034 1.00 50.34 O ATOM 423 CB LEU A 28 -1.922 10.712 0.178 1.00 64.31 C ATOM 424 CG LEU A 28 -0.660 10.276 -0.567 1.00 44.25 C ATOM 425 CD1 LEU A 28 0.558 11.011 -0.030 1.00 43.51 C ATOM 426 CD2 LEU A 28 -0.468 8.771 -0.457 1.00 23.41 C ATOM 0 H LEU A 28 -2.388 11.270 -2.175 1.00 42.24 H new ATOM 0 HA LEU A 28 -3.399 9.285 -0.457 1.00 44.12 H new ATOM 0 HB2 LEU A 28 -1.881 11.792 0.320 1.00 64.31 H new ATOM 0 HB3 LEU A 28 -1.909 10.260 1.170 1.00 64.31 H new ATOM 0 HG LEU A 28 -0.778 10.531 -1.620 1.00 44.25 H new ATOM 0 HD11 LEU A 28 1.446 10.688 -0.572 1.00 43.51 H new ATOM 0 HD12 LEU A 28 0.423 12.084 -0.162 1.00 43.51 H new ATOM 0 HD13 LEU A 28 0.679 10.789 1.030 1.00 43.51 H new ATOM 0 HD21 LEU A 28 0.435 8.479 -0.993 1.00 23.41 H new ATOM 0 HD22 LEU A 28 -0.373 8.492 0.592 1.00 23.41 H new ATOM 0 HD23 LEU A 28 -1.328 8.262 -0.891 1.00 23.41 H new ATOM 438 N THR A 29 -5.042 10.277 1.141 1.00 2.44 N ATOM 439 CA THR A 29 -6.158 10.796 1.922 1.00 4.03 C ATOM 440 C THR A 29 -5.696 11.884 2.885 1.00 52.42 C ATOM 441 O THR A 29 -4.917 11.625 3.803 1.00 35.20 O ATOM 442 CB THR A 29 -6.850 9.678 2.724 1.00 73.33 C ATOM 443 OG1 THR A 29 -7.365 8.683 1.832 1.00 75.11 O ATOM 444 CG2 THR A 29 -7.981 10.240 3.572 1.00 50.44 C ATOM 0 H THR A 29 -4.807 9.304 1.336 1.00 2.44 H new ATOM 0 HA THR A 29 -6.870 11.219 1.213 1.00 4.03 H new ATOM 0 HB THR A 29 -6.112 9.226 3.386 1.00 73.33 H new ATOM 0 HG1 THR A 29 -7.802 7.975 2.349 1.00 75.11 H new ATOM 0 HG21 THR A 29 -8.454 9.432 4.129 1.00 50.44 H new ATOM 0 HG22 THR A 29 -7.582 10.976 4.270 1.00 50.44 H new ATOM 0 HG23 THR A 29 -8.719 10.716 2.926 1.00 50.44 H new ATOM 452 N CYS A 30 -6.181 13.102 2.670 1.00 53.12 N ATOM 453 CA CYS A 30 -5.818 14.231 3.519 1.00 20.22 C ATOM 454 C CYS A 30 -6.831 14.413 4.645 1.00 72.44 C ATOM 455 O CYS A 30 -8.041 14.383 4.417 1.00 72.20 O ATOM 456 CB CYS A 30 -5.725 15.512 2.689 1.00 63.43 C ATOM 457 SG CYS A 30 -5.330 16.989 3.653 1.00 41.52 S ATOM 0 H CYS A 30 -6.827 13.333 1.915 1.00 53.12 H new ATOM 0 HA CYS A 30 -4.844 14.022 3.961 1.00 20.22 H new ATOM 0 HB2 CYS A 30 -4.964 15.379 1.920 1.00 63.43 H new ATOM 0 HB3 CYS A 30 -6.674 15.669 2.176 1.00 63.43 H new ATOM 0 HG CYS A 30 -6.019 17.996 3.205 1.00 41.52 H new ATOM 463 N THR A 31 -6.329 14.600 5.861 1.00 34.35 N ATOM 464 CA THR A 31 -7.190 14.783 7.023 1.00 1.32 C ATOM 465 C THR A 31 -6.597 15.800 7.992 1.00 64.22 C ATOM 466 O THR A 31 -5.377 15.939 8.093 1.00 51.54 O ATOM 467 CB THR A 31 -7.419 13.455 7.768 1.00 32.41 C ATOM 468 OG1 THR A 31 -7.705 12.411 6.831 1.00 75.42 O ATOM 469 CG2 THR A 31 -8.566 13.581 8.760 1.00 42.12 C ATOM 0 H THR A 31 -5.330 14.629 6.067 1.00 34.35 H new ATOM 0 HA THR A 31 -8.146 15.152 6.652 1.00 1.32 H new ATOM 0 HB THR A 31 -6.510 13.211 8.317 1.00 32.41 H new ATOM 0 HG1 THR A 31 -7.443 11.548 7.213 1.00 75.42 H new ATOM 0 HG21 THR A 31 -8.709 12.630 9.274 1.00 42.12 H new ATOM 0 HG22 THR A 31 -8.333 14.356 9.490 1.00 42.12 H new ATOM 0 HG23 THR A 31 -9.480 13.847 8.228 1.00 42.12 H new ATOM 477 N THR A 32 -7.466 16.509 8.705 1.00 73.12 N ATOM 478 CA THR A 32 -7.028 17.513 9.666 1.00 52.44 C ATOM 479 C THR A 32 -7.932 17.532 10.893 1.00 72.42 C ATOM 480 O THR A 32 -9.155 17.445 10.777 1.00 61.00 O ATOM 481 CB THR A 32 -7.006 18.920 9.037 1.00 31.44 C ATOM 482 OG1 THR A 32 -8.299 19.243 8.514 1.00 71.32 O ATOM 483 CG2 THR A 32 -5.969 19.000 7.927 1.00 12.22 C ATOM 0 H THR A 32 -8.478 16.406 8.635 1.00 73.12 H new ATOM 0 HA THR A 32 -6.017 17.241 9.968 1.00 52.44 H new ATOM 0 HB THR A 32 -6.740 19.637 9.813 1.00 31.44 H new ATOM 0 HG1 THR A 32 -8.277 20.139 8.118 1.00 71.32 H new ATOM 0 HG21 THR A 32 -5.972 20.002 7.498 1.00 12.22 H new ATOM 0 HG22 THR A 32 -4.982 18.783 8.335 1.00 12.22 H new ATOM 0 HG23 THR A 32 -6.209 18.273 7.151 1.00 12.22 H new ATOM 491 N PHE A 33 -7.324 17.645 12.069 1.00 44.44 N ATOM 492 CA PHE A 33 -8.074 17.675 13.318 1.00 34.24 C ATOM 493 C PHE A 33 -7.708 18.904 14.144 1.00 5.25 C ATOM 494 O PHE A 33 -8.439 19.294 15.054 1.00 22.42 O ATOM 495 CB PHE A 33 -7.808 16.404 14.128 1.00 2.22 C ATOM 496 CG PHE A 33 -8.094 15.139 13.371 1.00 51.45 C ATOM 497 CD1 PHE A 33 -7.190 14.654 12.440 1.00 23.41 C ATOM 498 CD2 PHE A 33 -9.268 14.436 13.588 1.00 12.53 C ATOM 499 CE1 PHE A 33 -7.450 13.490 11.741 1.00 21.34 C ATOM 500 CE2 PHE A 33 -9.534 13.272 12.893 1.00 64.10 C ATOM 501 CZ PHE A 33 -8.624 12.799 11.968 1.00 70.45 C ATOM 0 H PHE A 33 -6.313 17.717 12.183 1.00 44.44 H new ATOM 0 HA PHE A 33 -9.135 17.727 13.074 1.00 34.24 H new ATOM 0 HB2 PHE A 33 -6.766 16.398 14.448 1.00 2.22 H new ATOM 0 HB3 PHE A 33 -8.419 16.424 15.031 1.00 2.22 H new ATOM 0 HD1 PHE A 33 -6.271 15.192 12.258 1.00 23.41 H new ATOM 0 HD2 PHE A 33 -9.984 14.802 14.309 1.00 12.53 H new ATOM 0 HE1 PHE A 33 -6.736 13.122 11.019 1.00 21.34 H new ATOM 0 HE2 PHE A 33 -10.452 12.733 13.073 1.00 64.10 H new ATOM 0 HZ PHE A 33 -8.830 11.890 11.423 1.00 70.45 H new ATOM 511 N GLU A 34 -6.569 19.510 13.820 1.00 34.21 N ATOM 512 CA GLU A 34 -6.105 20.694 14.533 1.00 62.10 C ATOM 513 C GLU A 34 -5.567 20.323 15.912 1.00 71.30 C ATOM 514 O GLU A 34 -4.399 20.558 16.218 1.00 12.23 O ATOM 515 CB GLU A 34 -7.240 21.710 14.673 1.00 42.42 C ATOM 516 CG GLU A 34 -8.089 21.851 13.420 1.00 22.14 C ATOM 517 CD GLU A 34 -8.723 23.222 13.297 1.00 54.54 C ATOM 518 OE1 GLU A 34 -8.085 24.211 13.716 1.00 32.31 O ATOM 519 OE2 GLU A 34 -9.857 23.308 12.781 1.00 34.20 O ATOM 0 H GLU A 34 -5.952 19.200 13.069 1.00 34.21 H new ATOM 0 HA GLU A 34 -5.296 21.141 13.955 1.00 62.10 H new ATOM 0 HB2 GLU A 34 -7.880 21.415 15.504 1.00 42.42 H new ATOM 0 HB3 GLU A 34 -6.817 22.682 14.926 1.00 42.42 H new ATOM 0 HG2 GLU A 34 -7.470 21.661 12.543 1.00 22.14 H new ATOM 0 HG3 GLU A 34 -8.872 21.092 13.429 1.00 22.14 H new ATOM 526 N ASN A 35 -6.429 19.741 16.740 1.00 51.12 N ATOM 527 CA ASN A 35 -6.042 19.338 18.087 1.00 61.01 C ATOM 528 C ASN A 35 -6.263 17.842 18.292 1.00 42.43 C ATOM 529 O ASN A 35 -7.225 17.271 17.781 1.00 31.32 O ATOM 530 CB ASN A 35 -6.837 20.130 19.127 1.00 73.41 C ATOM 531 CG ASN A 35 -8.299 20.276 18.749 1.00 64.42 C ATOM 532 OD1 ASN A 35 -8.905 19.355 18.201 1.00 24.50 O ATOM 533 ND2 ASN A 35 -8.872 21.437 19.040 1.00 3.53 N ATOM 0 H ASN A 35 -7.400 19.538 16.502 1.00 51.12 H new ATOM 0 HA ASN A 35 -4.980 19.551 18.212 1.00 61.01 H new ATOM 0 HB2 ASN A 35 -6.762 19.632 20.094 1.00 73.41 H new ATOM 0 HB3 ASN A 35 -6.394 21.119 19.243 1.00 73.41 H new ATOM 0 HD21 ASN A 35 -9.853 21.594 18.809 1.00 3.53 H new ATOM 0 HD22 ASN A 35 -8.331 22.173 19.495 1.00 3.53 H new ATOM 540 N GLY A 36 -5.364 17.214 19.044 1.00 41.23 N ATOM 541 CA GLY A 36 -5.478 15.791 19.304 1.00 54.14 C ATOM 542 C GLY A 36 -6.851 15.404 19.817 1.00 10.12 C ATOM 543 O GLY A 36 -7.326 14.297 19.566 1.00 4.30 O ATOM 0 H GLY A 36 -4.559 17.666 19.478 1.00 41.23 H new ATOM 0 HA2 GLY A 36 -5.267 15.239 18.388 1.00 54.14 H new ATOM 0 HA3 GLY A 36 -4.724 15.497 20.034 1.00 54.14 H new ATOM 547 N ASN A 37 -7.490 16.318 20.540 1.00 1.13 N ATOM 548 CA ASN A 37 -8.816 16.066 21.093 1.00 62.41 C ATOM 549 C ASN A 37 -9.756 15.521 20.022 1.00 35.34 C ATOM 550 O ASN A 37 -10.562 14.629 20.287 1.00 52.15 O ATOM 551 CB ASN A 37 -9.395 17.349 21.691 1.00 2.30 C ATOM 552 CG ASN A 37 -10.897 17.272 21.881 1.00 13.20 C ATOM 553 OD1 ASN A 37 -11.381 16.792 22.906 1.00 23.33 O ATOM 554 ND2 ASN A 37 -11.644 17.746 20.890 1.00 1.35 N ATOM 0 H ASN A 37 -7.111 17.240 20.757 1.00 1.13 H new ATOM 0 HA ASN A 37 -8.718 15.319 21.881 1.00 62.41 H new ATOM 0 HB2 ASN A 37 -8.920 17.545 22.652 1.00 2.30 H new ATOM 0 HB3 ASN A 37 -9.157 18.190 21.040 1.00 2.30 H new ATOM 0 HD21 ASN A 37 -12.661 17.721 20.961 1.00 1.35 H new ATOM 0 HD22 ASN A 37 -11.200 18.135 20.058 1.00 1.35 H new ATOM 561 N GLU A 38 -9.647 16.063 18.814 1.00 44.42 N ATOM 562 CA GLU A 38 -10.488 15.631 17.704 1.00 42.31 C ATOM 563 C GLU A 38 -10.038 14.271 17.178 1.00 51.44 C ATOM 564 O GLU A 38 -10.856 13.382 16.944 1.00 35.24 O ATOM 565 CB GLU A 38 -10.452 16.664 16.576 1.00 50.34 C ATOM 566 CG GLU A 38 -11.496 17.759 16.719 1.00 30.12 C ATOM 567 CD GLU A 38 -12.756 17.471 15.925 1.00 3.55 C ATOM 568 OE1 GLU A 38 -13.664 16.813 16.474 1.00 73.02 O ATOM 569 OE2 GLU A 38 -12.833 17.904 14.757 1.00 40.22 O ATOM 0 H GLU A 38 -8.985 16.802 18.579 1.00 44.42 H new ATOM 0 HA GLU A 38 -11.511 15.539 18.070 1.00 42.31 H new ATOM 0 HB2 GLU A 38 -9.462 17.119 16.543 1.00 50.34 H new ATOM 0 HB3 GLU A 38 -10.600 16.155 15.624 1.00 50.34 H new ATOM 0 HG2 GLU A 38 -11.753 17.875 17.772 1.00 30.12 H new ATOM 0 HG3 GLU A 38 -11.071 18.707 16.388 1.00 30.12 H new ATOM 576 N VAL A 39 -8.731 14.118 16.992 1.00 23.03 N ATOM 577 CA VAL A 39 -8.171 12.867 16.494 1.00 2.32 C ATOM 578 C VAL A 39 -8.681 11.678 17.299 1.00 33.51 C ATOM 579 O VAL A 39 -8.801 10.567 16.779 1.00 54.51 O ATOM 580 CB VAL A 39 -6.631 12.883 16.542 1.00 14.13 C ATOM 581 CG1 VAL A 39 -6.080 11.468 16.464 1.00 20.41 C ATOM 582 CG2 VAL A 39 -6.072 13.745 15.420 1.00 75.40 C ATOM 0 H VAL A 39 -8.040 14.845 17.179 1.00 23.03 H new ATOM 0 HA VAL A 39 -8.494 12.766 15.458 1.00 2.32 H new ATOM 0 HB VAL A 39 -6.319 13.317 17.492 1.00 14.13 H new ATOM 0 HG11 VAL A 39 -4.991 11.499 16.499 1.00 20.41 H new ATOM 0 HG12 VAL A 39 -6.454 10.885 17.306 1.00 20.41 H new ATOM 0 HG13 VAL A 39 -6.400 11.004 15.531 1.00 20.41 H new ATOM 0 HG21 VAL A 39 -4.983 13.745 15.469 1.00 75.40 H new ATOM 0 HG22 VAL A 39 -6.392 13.343 14.459 1.00 75.40 H new ATOM 0 HG23 VAL A 39 -6.440 14.765 15.527 1.00 75.40 H new ATOM 592 N LEU A 40 -8.981 11.916 18.571 1.00 32.11 N ATOM 593 CA LEU A 40 -9.480 10.864 19.450 1.00 72.33 C ATOM 594 C LEU A 40 -10.778 10.273 18.909 1.00 72.32 C ATOM 595 O LEU A 40 -10.863 9.074 18.646 1.00 75.44 O ATOM 596 CB LEU A 40 -9.705 11.413 20.859 1.00 11.24 C ATOM 597 CG LEU A 40 -9.326 10.482 22.011 1.00 23.13 C ATOM 598 CD1 LEU A 40 -9.908 9.095 21.790 1.00 31.51 C ATOM 599 CD2 LEU A 40 -7.813 10.409 22.163 1.00 52.55 C ATOM 0 H LEU A 40 -8.887 12.829 19.017 1.00 32.11 H new ATOM 0 HA LEU A 40 -8.731 10.073 19.491 1.00 72.33 H new ATOM 0 HB2 LEU A 40 -9.136 12.337 20.963 1.00 11.24 H new ATOM 0 HB3 LEU A 40 -10.758 11.675 20.961 1.00 11.24 H new ATOM 0 HG LEU A 40 -9.745 10.887 22.932 1.00 23.13 H new ATOM 0 HD11 LEU A 40 -9.628 8.446 22.620 1.00 31.51 H new ATOM 0 HD12 LEU A 40 -10.994 9.161 21.732 1.00 31.51 H new ATOM 0 HD13 LEU A 40 -9.520 8.682 20.859 1.00 31.51 H new ATOM 0 HD21 LEU A 40 -7.562 9.742 22.988 1.00 52.55 H new ATOM 0 HD22 LEU A 40 -7.373 10.028 21.241 1.00 52.55 H new ATOM 0 HD23 LEU A 40 -7.420 11.404 22.369 1.00 52.55 H new ATOM 611 N ALA A 41 -11.786 11.123 18.744 1.00 41.23 N ATOM 612 CA ALA A 41 -13.078 10.686 18.230 1.00 11.10 C ATOM 613 C ALA A 41 -12.910 9.812 16.992 1.00 45.22 C ATOM 614 O ALA A 41 -13.685 8.884 16.766 1.00 63.52 O ATOM 615 CB ALA A 41 -13.955 11.889 17.914 1.00 23.01 C ATOM 0 H ALA A 41 -11.733 12.119 18.959 1.00 41.23 H new ATOM 0 HA ALA A 41 -13.564 10.088 19.001 1.00 11.10 H new ATOM 0 HB1 ALA A 41 -14.917 11.548 17.531 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -14.112 12.473 18.821 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -13.465 12.509 17.163 1.00 23.01 H new ATOM 621 N ALA A 42 -11.892 10.116 16.193 1.00 52.34 N ATOM 622 CA ALA A 42 -11.622 9.357 14.978 1.00 44.41 C ATOM 623 C ALA A 42 -10.801 8.108 15.282 1.00 13.43 C ATOM 624 O ALA A 42 -11.005 7.056 14.675 1.00 1.20 O ATOM 625 CB ALA A 42 -10.901 10.229 13.960 1.00 12.33 C ATOM 0 H ALA A 42 -11.241 10.882 16.365 1.00 52.34 H new ATOM 0 HA ALA A 42 -12.576 9.040 14.558 1.00 44.41 H new ATOM 0 HB1 ALA A 42 -10.706 9.649 13.058 1.00 12.33 H new ATOM 0 HB2 ALA A 42 -11.523 11.089 13.711 1.00 12.33 H new ATOM 0 HB3 ALA A 42 -9.957 10.574 14.381 1.00 12.33 H new ATOM 631 N LEU A 43 -9.873 8.231 16.225 1.00 54.01 N ATOM 632 CA LEU A 43 -9.021 7.111 16.610 1.00 40.44 C ATOM 633 C LEU A 43 -9.859 5.904 17.016 1.00 31.44 C ATOM 634 O LEU A 43 -9.615 4.785 16.564 1.00 4.53 O ATOM 635 CB LEU A 43 -8.100 7.518 17.761 1.00 2.30 C ATOM 636 CG LEU A 43 -6.813 8.245 17.367 1.00 73.42 C ATOM 637 CD1 LEU A 43 -6.113 8.797 18.599 1.00 60.34 C ATOM 638 CD2 LEU A 43 -5.888 7.312 16.598 1.00 34.14 C ATOM 0 H LEU A 43 -9.691 9.094 16.737 1.00 54.01 H new ATOM 0 HA LEU A 43 -8.414 6.835 15.748 1.00 40.44 H new ATOM 0 HB2 LEU A 43 -8.662 8.159 18.440 1.00 2.30 H new ATOM 0 HB3 LEU A 43 -7.831 6.621 18.319 1.00 2.30 H new ATOM 0 HG LEU A 43 -7.074 9.081 16.718 1.00 73.42 H new ATOM 0 HD11 LEU A 43 -5.200 9.311 18.299 1.00 60.34 H new ATOM 0 HD12 LEU A 43 -6.773 9.499 19.109 1.00 60.34 H new ATOM 0 HD13 LEU A 43 -5.864 7.978 19.273 1.00 60.34 H new ATOM 0 HD21 LEU A 43 -4.977 7.846 16.326 1.00 34.14 H new ATOM 0 HD22 LEU A 43 -5.634 6.456 17.223 1.00 34.14 H new ATOM 0 HD23 LEU A 43 -6.390 6.966 15.694 1.00 34.14 H new ATOM 650 N ALA A 44 -10.849 6.138 17.871 1.00 35.10 N ATOM 651 CA ALA A 44 -11.727 5.070 18.335 1.00 4.22 C ATOM 652 C ALA A 44 -12.446 4.404 17.167 1.00 11.13 C ATOM 653 O ALA A 44 -12.921 3.274 17.282 1.00 55.44 O ATOM 654 CB ALA A 44 -12.734 5.613 19.338 1.00 50.21 C ATOM 0 H ALA A 44 -11.063 7.058 18.257 1.00 35.10 H new ATOM 0 HA ALA A 44 -11.113 4.316 18.826 1.00 4.22 H new ATOM 0 HB1 ALA A 44 -13.383 4.805 19.676 1.00 50.21 H new ATOM 0 HB2 ALA A 44 -12.205 6.035 20.192 1.00 50.21 H new ATOM 0 HB3 ALA A 44 -13.337 6.389 18.865 1.00 50.21 H new ATOM 660 N SER A 45 -12.523 5.111 16.045 1.00 51.54 N ATOM 661 CA SER A 45 -13.189 4.590 14.857 1.00 51.02 C ATOM 662 C SER A 45 -12.197 3.865 13.952 1.00 13.10 C ATOM 663 O SER A 45 -12.466 2.763 13.473 1.00 51.43 O ATOM 664 CB SER A 45 -13.865 5.725 14.085 1.00 1.34 C ATOM 665 OG SER A 45 -15.235 5.831 14.430 1.00 13.12 O ATOM 0 H SER A 45 -12.132 6.047 15.933 1.00 51.54 H new ATOM 0 HA SER A 45 -13.948 3.878 15.180 1.00 51.02 H new ATOM 0 HB2 SER A 45 -13.359 6.666 14.299 1.00 1.34 H new ATOM 0 HB3 SER A 45 -13.769 5.548 13.014 1.00 1.34 H new ATOM 0 HG SER A 45 -15.644 6.564 13.925 1.00 13.12 H new ATOM 671 N LYS A 46 -11.048 4.492 13.722 1.00 35.13 N ATOM 672 CA LYS A 46 -10.014 3.909 12.877 1.00 61.45 C ATOM 673 C LYS A 46 -8.636 4.439 13.258 1.00 3.33 C ATOM 674 O LYS A 46 -8.517 5.476 13.912 1.00 0.21 O ATOM 675 CB LYS A 46 -10.299 4.212 11.404 1.00 41.11 C ATOM 676 CG LYS A 46 -10.238 2.987 10.508 1.00 55.33 C ATOM 677 CD LYS A 46 -9.488 3.276 9.218 1.00 13.33 C ATOM 678 CE LYS A 46 -7.987 3.349 9.451 1.00 0.33 C ATOM 679 NZ LYS A 46 -7.224 2.666 8.370 1.00 30.25 N ATOM 0 H LYS A 46 -10.810 5.405 14.110 1.00 35.13 H new ATOM 0 HA LYS A 46 -10.023 2.830 13.028 1.00 61.45 H new ATOM 0 HB2 LYS A 46 -11.287 4.665 11.319 1.00 41.11 H new ATOM 0 HB3 LYS A 46 -9.579 4.949 11.047 1.00 41.11 H new ATOM 0 HG2 LYS A 46 -9.749 2.171 11.039 1.00 55.33 H new ATOM 0 HG3 LYS A 46 -11.250 2.655 10.275 1.00 55.33 H new ATOM 0 HD2 LYS A 46 -9.706 2.498 8.487 1.00 13.33 H new ATOM 0 HD3 LYS A 46 -9.838 4.218 8.795 1.00 13.33 H new ATOM 0 HE2 LYS A 46 -7.679 4.393 9.509 1.00 0.33 H new ATOM 0 HE3 LYS A 46 -7.746 2.892 10.411 1.00 0.33 H new ATOM 0 HZ1 LYS A 46 -6.387 3.232 8.125 1.00 30.25 H new ATOM 0 HZ2 LYS A 46 -6.922 1.726 8.698 1.00 30.25 H new ATOM 0 HZ3 LYS A 46 -7.829 2.562 7.531 1.00 30.25 H new ATOM 693 N THR A 47 -7.595 3.723 12.845 1.00 70.50 N ATOM 694 CA THR A 47 -6.225 4.121 13.143 1.00 14.43 C ATOM 695 C THR A 47 -5.490 4.550 11.879 1.00 63.11 C ATOM 696 O THR A 47 -5.508 3.862 10.858 1.00 53.33 O ATOM 697 CB THR A 47 -5.442 2.979 13.818 1.00 41.45 C ATOM 698 OG1 THR A 47 -5.054 2.008 12.840 1.00 62.21 O ATOM 699 CG2 THR A 47 -6.280 2.312 14.898 1.00 42.41 C ATOM 0 H THR A 47 -7.675 2.863 12.302 1.00 70.50 H new ATOM 0 HA THR A 47 -6.283 4.966 13.830 1.00 14.43 H new ATOM 0 HB THR A 47 -4.552 3.403 14.282 1.00 41.45 H new ATOM 0 HG1 THR A 47 -4.555 1.286 13.276 1.00 62.21 H new ATOM 0 HG21 THR A 47 -5.706 1.509 15.360 1.00 42.41 H new ATOM 0 HG22 THR A 47 -6.550 3.048 15.656 1.00 42.41 H new ATOM 0 HG23 THR A 47 -7.186 1.901 14.453 1.00 42.41 H new ATOM 707 N PRO A 48 -4.825 5.713 11.945 1.00 22.25 N ATOM 708 CA PRO A 48 -4.069 6.258 10.814 1.00 3.32 C ATOM 709 C PRO A 48 -2.815 5.446 10.510 1.00 44.24 C ATOM 710 O PRO A 48 -2.359 4.656 11.337 1.00 51.13 O ATOM 711 CB PRO A 48 -3.693 7.666 11.284 1.00 32.13 C ATOM 712 CG PRO A 48 -3.692 7.581 12.772 1.00 63.34 C ATOM 713 CD PRO A 48 -4.759 6.585 13.130 1.00 34.44 C ATOM 0 HA PRO A 48 -4.649 6.242 9.891 1.00 3.32 H new ATOM 0 HB2 PRO A 48 -2.715 7.962 10.904 1.00 32.13 H new ATOM 0 HB3 PRO A 48 -4.411 8.406 10.930 1.00 32.13 H new ATOM 0 HG2 PRO A 48 -2.719 7.261 13.144 1.00 63.34 H new ATOM 0 HG3 PRO A 48 -3.900 8.553 13.219 1.00 63.34 H new ATOM 0 HD2 PRO A 48 -4.500 6.024 14.028 1.00 34.44 H new ATOM 0 HD3 PRO A 48 -5.715 7.072 13.324 1.00 34.44 H new ATOM 721 N ASP A 49 -2.261 5.646 9.319 1.00 61.13 N ATOM 722 CA ASP A 49 -1.058 4.933 8.906 1.00 62.14 C ATOM 723 C ASP A 49 0.180 5.525 9.571 1.00 5.31 C ATOM 724 O ASP A 49 1.006 4.801 10.127 1.00 63.35 O ATOM 725 CB ASP A 49 -0.907 4.982 7.384 1.00 32.13 C ATOM 726 CG ASP A 49 -1.225 3.653 6.728 1.00 63.21 C ATOM 727 OD1 ASP A 49 -0.824 2.608 7.281 1.00 24.30 O ATOM 728 OD2 ASP A 49 -1.874 3.658 5.661 1.00 65.33 O ATOM 0 H ASP A 49 -2.626 6.296 8.623 1.00 61.13 H new ATOM 0 HA ASP A 49 -1.156 3.894 9.221 1.00 62.14 H new ATOM 0 HB2 ASP A 49 -1.567 5.750 6.981 1.00 32.13 H new ATOM 0 HB3 ASP A 49 0.113 5.274 7.132 1.00 32.13 H new ATOM 733 N VAL A 50 0.304 6.847 9.510 1.00 14.52 N ATOM 734 CA VAL A 50 1.441 7.538 10.107 1.00 71.32 C ATOM 735 C VAL A 50 1.058 8.945 10.551 1.00 43.12 C ATOM 736 O VAL A 50 1.252 9.914 9.815 1.00 12.15 O ATOM 737 CB VAL A 50 2.623 7.625 9.124 1.00 62.04 C ATOM 738 CG1 VAL A 50 3.777 8.398 9.743 1.00 2.41 C ATOM 739 CG2 VAL A 50 3.069 6.233 8.702 1.00 31.10 C ATOM 0 H VAL A 50 -0.370 7.461 9.053 1.00 14.52 H new ATOM 0 HA VAL A 50 1.744 6.956 10.977 1.00 71.32 H new ATOM 0 HB VAL A 50 2.294 8.161 8.234 1.00 62.04 H new ATOM 0 HG11 VAL A 50 4.603 8.449 9.034 1.00 2.41 H new ATOM 0 HG12 VAL A 50 3.448 9.407 9.990 1.00 2.41 H new ATOM 0 HG13 VAL A 50 4.109 7.893 10.650 1.00 2.41 H new ATOM 0 HG21 VAL A 50 3.905 6.314 8.007 1.00 31.10 H new ATOM 0 HG22 VAL A 50 3.381 5.669 9.581 1.00 31.10 H new ATOM 0 HG23 VAL A 50 2.241 5.718 8.215 1.00 31.10 H new ATOM 749 N LEU A 51 0.515 9.051 11.758 1.00 12.23 N ATOM 750 CA LEU A 51 0.105 10.341 12.302 1.00 11.32 C ATOM 751 C LEU A 51 1.236 10.979 13.102 1.00 43.42 C ATOM 752 O LEU A 51 2.034 10.284 13.733 1.00 40.35 O ATOM 753 CB LEU A 51 -1.130 10.174 13.189 1.00 73.12 C ATOM 754 CG LEU A 51 -1.567 11.412 13.972 1.00 0.32 C ATOM 755 CD1 LEU A 51 -3.077 11.425 14.152 1.00 10.03 C ATOM 756 CD2 LEU A 51 -0.867 11.464 15.322 1.00 24.12 C ATOM 0 H LEU A 51 0.348 8.259 12.379 1.00 12.23 H new ATOM 0 HA LEU A 51 -0.141 10.997 11.467 1.00 11.32 H new ATOM 0 HB2 LEU A 51 -1.962 9.853 12.562 1.00 73.12 H new ATOM 0 HB3 LEU A 51 -0.937 9.370 13.899 1.00 73.12 H new ATOM 0 HG LEU A 51 -1.282 12.297 13.403 1.00 0.32 H new ATOM 0 HD11 LEU A 51 -3.369 12.314 14.712 1.00 10.03 H new ATOM 0 HD12 LEU A 51 -3.560 11.437 13.175 1.00 10.03 H new ATOM 0 HD13 LEU A 51 -3.386 10.534 14.699 1.00 10.03 H new ATOM 0 HD21 LEU A 51 -1.190 12.352 15.865 1.00 24.12 H new ATOM 0 HD22 LEU A 51 -1.120 10.574 15.898 1.00 24.12 H new ATOM 0 HD23 LEU A 51 0.212 11.504 15.171 1.00 24.12 H new ATOM 768 N LEU A 52 1.299 12.306 13.073 1.00 32.02 N ATOM 769 CA LEU A 52 2.331 13.039 13.797 1.00 3.15 C ATOM 770 C LEU A 52 1.710 14.035 14.772 1.00 62.30 C ATOM 771 O LEU A 52 1.070 15.003 14.362 1.00 32.30 O ATOM 772 CB LEU A 52 3.247 13.772 12.816 1.00 3.41 C ATOM 773 CG LEU A 52 3.752 12.952 11.628 1.00 2.34 C ATOM 774 CD1 LEU A 52 2.821 13.110 10.436 1.00 4.42 C ATOM 775 CD2 LEU A 52 5.170 13.365 11.259 1.00 14.32 C ATOM 0 H LEU A 52 0.647 12.896 12.556 1.00 32.02 H new ATOM 0 HA LEU A 52 2.920 12.320 14.367 1.00 3.15 H new ATOM 0 HB2 LEU A 52 2.713 14.641 12.431 1.00 3.41 H new ATOM 0 HB3 LEU A 52 4.110 14.146 13.366 1.00 3.41 H new ATOM 0 HG LEU A 52 3.765 11.901 11.916 1.00 2.34 H new ATOM 0 HD11 LEU A 52 3.196 12.519 9.600 1.00 4.42 H new ATOM 0 HD12 LEU A 52 1.823 12.764 10.705 1.00 4.42 H new ATOM 0 HD13 LEU A 52 2.775 14.160 10.147 1.00 4.42 H new ATOM 0 HD21 LEU A 52 5.513 12.771 10.412 1.00 14.32 H new ATOM 0 HD22 LEU A 52 5.183 14.421 10.991 1.00 14.32 H new ATOM 0 HD23 LEU A 52 5.831 13.199 12.110 1.00 14.32 H new ATOM 787 N SER A 53 1.906 13.791 16.064 1.00 51.01 N ATOM 788 CA SER A 53 1.364 14.665 17.097 1.00 14.34 C ATOM 789 C SER A 53 2.366 15.754 17.469 1.00 21.53 C ATOM 790 O SER A 53 3.556 15.645 17.171 1.00 54.53 O ATOM 791 CB SER A 53 0.992 13.853 18.339 1.00 32.41 C ATOM 792 OG SER A 53 -0.397 13.940 18.609 1.00 64.01 O ATOM 0 H SER A 53 2.436 12.995 16.420 1.00 51.01 H new ATOM 0 HA SER A 53 0.467 15.141 16.701 1.00 14.34 H new ATOM 0 HB2 SER A 53 1.272 12.810 18.193 1.00 32.41 H new ATOM 0 HB3 SER A 53 1.556 14.217 19.198 1.00 32.41 H new ATOM 0 HG SER A 53 -0.534 14.327 19.499 1.00 64.01 H new ATOM 798 N ASP A 54 1.877 16.801 18.123 1.00 53.53 N ATOM 799 CA ASP A 54 2.729 17.910 18.537 1.00 15.22 C ATOM 800 C ASP A 54 2.670 18.105 20.049 1.00 34.00 C ATOM 801 O ASP A 54 1.591 18.099 20.644 1.00 43.33 O ATOM 802 CB ASP A 54 2.307 19.198 17.828 1.00 62.13 C ATOM 803 CG ASP A 54 1.174 18.974 16.845 1.00 25.32 C ATOM 804 OD1 ASP A 54 0.018 18.829 17.295 1.00 23.52 O ATOM 805 OD2 ASP A 54 1.444 18.944 15.626 1.00 10.24 O ATOM 0 H ASP A 54 0.895 16.906 18.378 1.00 53.53 H new ATOM 0 HA ASP A 54 3.755 17.671 18.259 1.00 15.22 H new ATOM 0 HB2 ASP A 54 1.999 19.934 18.571 1.00 62.13 H new ATOM 0 HB3 ASP A 54 3.164 19.616 17.301 1.00 62.13 H new ATOM 810 N ILE A 55 3.835 18.276 20.664 1.00 32.02 N ATOM 811 CA ILE A 55 3.915 18.472 22.106 1.00 1.33 C ATOM 812 C ILE A 55 4.304 19.907 22.445 1.00 52.51 C ATOM 813 O ILE A 55 5.079 20.150 23.370 1.00 21.51 O ATOM 814 CB ILE A 55 4.932 17.511 22.750 1.00 44.55 C ATOM 815 CG1 ILE A 55 6.207 17.445 21.906 1.00 24.33 C ATOM 816 CG2 ILE A 55 4.324 16.126 22.910 1.00 2.35 C ATOM 817 CD1 ILE A 55 6.176 16.364 20.848 1.00 41.40 C ATOM 0 H ILE A 55 4.736 18.283 20.186 1.00 32.02 H new ATOM 0 HA ILE A 55 2.924 18.262 22.508 1.00 1.33 H new ATOM 0 HB ILE A 55 5.192 17.888 23.739 1.00 44.55 H new ATOM 0 HG12 ILE A 55 6.364 18.410 21.424 1.00 24.33 H new ATOM 0 HG13 ILE A 55 7.060 17.275 22.563 1.00 24.33 H new ATOM 0 HG21 ILE A 55 5.055 15.458 23.366 1.00 2.35 H new ATOM 0 HG22 ILE A 55 3.441 16.187 23.547 1.00 2.35 H new ATOM 0 HG23 ILE A 55 4.040 15.738 21.932 1.00 2.35 H new ATOM 0 HD11 ILE A 55 7.111 16.376 20.289 1.00 41.40 H new ATOM 0 HD12 ILE A 55 6.050 15.392 21.325 1.00 41.40 H new ATOM 0 HD13 ILE A 55 5.344 16.545 20.167 1.00 41.40 H new ATOM 829 N ARG A 56 3.759 20.856 21.690 1.00 14.04 N ATOM 830 CA ARG A 56 4.048 22.268 21.911 1.00 73.12 C ATOM 831 C ARG A 56 3.196 23.146 20.999 1.00 13.11 C ATOM 832 O ARG A 56 3.719 23.879 20.160 1.00 23.33 O ATOM 833 CB ARG A 56 5.531 22.551 21.668 1.00 64.53 C ATOM 834 CG ARG A 56 5.944 23.974 22.006 1.00 73.10 C ATOM 835 CD ARG A 56 6.918 24.530 20.980 1.00 44.30 C ATOM 836 NE ARG A 56 6.237 25.282 19.929 1.00 3.03 N ATOM 837 CZ ARG A 56 6.868 26.056 19.053 1.00 54.01 C ATOM 838 NH1 ARG A 56 8.187 26.179 19.101 1.00 51.23 N ATOM 839 NH2 ARG A 56 6.178 26.708 18.126 1.00 41.52 N ATOM 0 H ARG A 56 3.115 20.673 20.920 1.00 14.04 H new ATOM 0 HA ARG A 56 3.805 22.505 22.947 1.00 73.12 H new ATOM 0 HB2 ARG A 56 6.126 21.858 22.263 1.00 64.53 H new ATOM 0 HB3 ARG A 56 5.763 22.353 20.621 1.00 64.53 H new ATOM 0 HG2 ARG A 56 5.060 24.610 22.051 1.00 73.10 H new ATOM 0 HG3 ARG A 56 6.403 23.996 22.994 1.00 73.10 H new ATOM 0 HD2 ARG A 56 7.640 25.177 21.479 1.00 44.30 H new ATOM 0 HD3 ARG A 56 7.480 23.710 20.533 1.00 44.30 H new ATOM 0 HE ARG A 56 5.222 25.209 19.864 1.00 3.03 H new ATOM 0 HH11 ARG A 56 8.720 25.679 19.812 1.00 51.23 H new ATOM 0 HH12 ARG A 56 8.669 26.774 18.427 1.00 51.23 H new ATOM 0 HH21 ARG A 56 5.163 26.615 18.086 1.00 41.52 H new ATOM 0 HH22 ARG A 56 6.663 27.302 17.453 1.00 41.52 H new ATOM 853 N MET A 57 1.880 23.066 21.170 1.00 41.02 N ATOM 854 CA MET A 57 0.956 23.854 20.363 1.00 52.13 C ATOM 855 C MET A 57 -0.244 24.302 21.192 1.00 43.23 C ATOM 856 O MET A 57 -0.659 23.633 22.138 1.00 11.42 O ATOM 857 CB MET A 57 0.482 23.044 19.155 1.00 73.04 C ATOM 858 CG MET A 57 -0.063 21.672 19.519 1.00 40.34 C ATOM 859 SD MET A 57 -1.819 21.708 19.927 1.00 2.23 S ATOM 860 CE MET A 57 -2.042 20.066 20.607 1.00 42.21 C ATOM 0 H MET A 57 1.430 22.464 21.860 1.00 41.02 H new ATOM 0 HA MET A 57 1.484 24.741 20.012 1.00 52.13 H new ATOM 0 HB2 MET A 57 -0.292 23.606 18.632 1.00 73.04 H new ATOM 0 HB3 MET A 57 1.313 22.923 18.460 1.00 73.04 H new ATOM 0 HG2 MET A 57 0.098 20.988 18.685 1.00 40.34 H new ATOM 0 HG3 MET A 57 0.495 21.277 20.368 1.00 40.34 H new ATOM 0 HE1 MET A 57 -3.006 20.010 21.113 1.00 42.21 H new ATOM 0 HE2 MET A 57 -2.012 19.332 19.802 1.00 42.21 H new ATOM 0 HE3 MET A 57 -1.245 19.856 21.320 1.00 42.21 H new ATOM 870 N PRO A 58 -0.815 25.461 20.830 1.00 24.21 N ATOM 871 CA PRO A 58 -1.974 26.023 21.528 1.00 55.52 C ATOM 872 C PRO A 58 -3.243 25.212 21.291 1.00 33.52 C ATOM 873 O PRO A 58 -4.101 25.599 20.499 1.00 60.33 O ATOM 874 CB PRO A 58 -2.112 27.421 20.918 1.00 71.43 C ATOM 875 CG PRO A 58 -1.488 27.308 19.570 1.00 41.43 C ATOM 876 CD PRO A 58 -0.372 26.311 19.712 1.00 61.42 C ATOM 0 HA PRO A 58 -1.836 26.026 22.609 1.00 55.52 H new ATOM 0 HB2 PRO A 58 -3.158 27.721 20.847 1.00 71.43 H new ATOM 0 HB3 PRO A 58 -1.607 28.171 21.527 1.00 71.43 H new ATOM 0 HG2 PRO A 58 -2.216 26.976 18.830 1.00 41.43 H new ATOM 0 HG3 PRO A 58 -1.109 28.273 19.234 1.00 41.43 H new ATOM 0 HD2 PRO A 58 -0.231 25.733 18.799 1.00 61.42 H new ATOM 0 HD3 PRO A 58 0.578 26.799 19.930 1.00 61.42 H new ATOM 884 N GLY A 59 -3.356 24.083 21.985 1.00 72.43 N ATOM 885 CA GLY A 59 -4.524 23.234 21.836 1.00 51.22 C ATOM 886 C GLY A 59 -4.700 22.280 23.001 1.00 51.25 C ATOM 887 O GLY A 59 -5.751 22.258 23.640 1.00 55.03 O ATOM 0 H GLY A 59 -2.660 23.741 22.647 1.00 72.43 H new ATOM 0 HA2 GLY A 59 -5.413 23.858 21.744 1.00 51.22 H new ATOM 0 HA3 GLY A 59 -4.438 22.662 20.912 1.00 51.22 H new ATOM 891 N MET A 60 -3.669 21.489 23.276 1.00 23.32 N ATOM 892 CA MET A 60 -3.715 20.528 24.372 1.00 61.40 C ATOM 893 C MET A 60 -2.333 19.940 24.639 1.00 45.43 C ATOM 894 O MET A 60 -1.655 20.330 25.590 1.00 13.31 O ATOM 895 CB MET A 60 -4.705 19.406 24.054 1.00 54.05 C ATOM 896 CG MET A 60 -4.748 18.314 25.111 1.00 41.54 C ATOM 897 SD MET A 60 -6.332 17.454 25.157 1.00 65.42 S ATOM 898 CE MET A 60 -6.483 16.931 23.450 1.00 2.13 C ATOM 0 H MET A 60 -2.792 21.494 22.756 1.00 23.32 H new ATOM 0 HA MET A 60 -4.047 21.053 25.268 1.00 61.40 H new ATOM 0 HB2 MET A 60 -5.702 19.833 23.944 1.00 54.05 H new ATOM 0 HB3 MET A 60 -4.441 18.961 23.095 1.00 54.05 H new ATOM 0 HG2 MET A 60 -3.953 17.594 24.916 1.00 41.54 H new ATOM 0 HG3 MET A 60 -4.548 18.752 26.089 1.00 41.54 H new ATOM 0 HE1 MET A 60 -7.223 16.134 23.378 1.00 2.13 H new ATOM 0 HE2 MET A 60 -6.799 17.775 22.837 1.00 2.13 H new ATOM 0 HE3 MET A 60 -5.520 16.565 23.095 1.00 2.13 H new ATOM 908 N ASP A 61 -1.920 19.002 23.794 1.00 74.21 N ATOM 909 CA ASP A 61 -0.618 18.361 23.938 1.00 12.54 C ATOM 910 C ASP A 61 -0.410 17.304 22.859 1.00 61.21 C ATOM 911 O ASP A 61 -1.257 17.117 21.987 1.00 54.01 O ATOM 912 CB ASP A 61 -0.489 17.726 25.324 1.00 52.43 C ATOM 913 CG ASP A 61 -1.702 16.896 25.695 1.00 20.02 C ATOM 914 OD1 ASP A 61 -2.196 16.147 24.827 1.00 60.10 O ATOM 915 OD2 ASP A 61 -2.158 16.996 26.854 1.00 63.22 O ATOM 0 H ASP A 61 -2.468 18.668 23.001 1.00 74.21 H new ATOM 0 HA ASP A 61 0.150 19.126 23.824 1.00 12.54 H new ATOM 0 HB2 ASP A 61 0.400 17.097 25.351 1.00 52.43 H new ATOM 0 HB3 ASP A 61 -0.347 18.510 26.068 1.00 52.43 H new ATOM 920 N GLY A 62 0.725 16.615 22.924 1.00 63.52 N ATOM 921 CA GLY A 62 1.025 15.585 21.946 1.00 40.23 C ATOM 922 C GLY A 62 1.272 14.233 22.584 1.00 35.33 C ATOM 923 O GLY A 62 1.313 13.211 21.897 1.00 51.41 O ATOM 0 H GLY A 62 1.442 16.751 23.636 1.00 63.52 H new ATOM 0 HA2 GLY A 62 0.197 15.505 21.242 1.00 40.23 H new ATOM 0 HA3 GLY A 62 1.904 15.878 21.372 1.00 40.23 H new ATOM 927 N LEU A 63 1.437 14.224 23.902 1.00 4.13 N ATOM 928 CA LEU A 63 1.683 12.986 24.634 1.00 1.54 C ATOM 929 C LEU A 63 0.371 12.292 24.986 1.00 3.31 C ATOM 930 O LEU A 63 0.281 11.065 24.963 1.00 4.21 O ATOM 931 CB LEU A 63 2.479 13.274 25.909 1.00 52.12 C ATOM 932 CG LEU A 63 3.964 13.582 25.718 1.00 64.45 C ATOM 933 CD1 LEU A 63 4.566 14.130 27.002 1.00 31.53 C ATOM 934 CD2 LEU A 63 4.713 12.336 25.265 1.00 52.32 C ATOM 0 H LEU A 63 1.405 15.060 24.486 1.00 4.13 H new ATOM 0 HA LEU A 63 2.263 12.322 23.993 1.00 1.54 H new ATOM 0 HB2 LEU A 63 2.016 14.119 26.419 1.00 52.12 H new ATOM 0 HB3 LEU A 63 2.389 12.413 26.572 1.00 52.12 H new ATOM 0 HG LEU A 63 4.060 14.342 24.943 1.00 64.45 H new ATOM 0 HD11 LEU A 63 5.624 14.343 26.846 1.00 31.53 H new ATOM 0 HD12 LEU A 63 4.049 15.047 27.284 1.00 31.53 H new ATOM 0 HD13 LEU A 63 4.458 13.393 27.798 1.00 31.53 H new ATOM 0 HD21 LEU A 63 5.769 12.574 25.134 1.00 52.32 H new ATOM 0 HD22 LEU A 63 4.608 11.554 26.017 1.00 52.32 H new ATOM 0 HD23 LEU A 63 4.300 11.987 24.319 1.00 52.32 H new ATOM 946 N ALA A 64 -0.644 13.086 25.309 1.00 13.34 N ATOM 947 CA ALA A 64 -1.952 12.548 25.661 1.00 14.45 C ATOM 948 C ALA A 64 -2.577 11.809 24.483 1.00 20.54 C ATOM 949 O ALA A 64 -3.347 10.865 24.667 1.00 22.33 O ATOM 950 CB ALA A 64 -2.872 13.664 26.134 1.00 53.51 C ATOM 0 H ALA A 64 -0.586 14.104 25.334 1.00 13.34 H new ATOM 0 HA ALA A 64 -1.817 11.834 26.474 1.00 14.45 H new ATOM 0 HB1 ALA A 64 -3.845 13.248 26.394 1.00 53.51 H new ATOM 0 HB2 ALA A 64 -2.438 14.146 27.010 1.00 53.51 H new ATOM 0 HB3 ALA A 64 -2.992 14.399 25.338 1.00 53.51 H new ATOM 956 N LEU A 65 -2.242 12.243 23.273 1.00 21.45 N ATOM 957 CA LEU A 65 -2.771 11.621 22.064 1.00 3.51 C ATOM 958 C LEU A 65 -1.923 10.422 21.653 1.00 71.13 C ATOM 959 O LEU A 65 -2.451 9.356 21.333 1.00 25.30 O ATOM 960 CB LEU A 65 -2.821 12.640 20.924 1.00 42.10 C ATOM 961 CG LEU A 65 -3.705 12.271 19.732 1.00 33.15 C ATOM 962 CD1 LEU A 65 -5.174 12.451 20.082 1.00 33.02 C ATOM 963 CD2 LEU A 65 -3.338 13.108 18.516 1.00 12.41 C ATOM 0 H LEU A 65 -1.607 13.023 23.103 1.00 21.45 H new ATOM 0 HA LEU A 65 -3.782 11.272 22.276 1.00 3.51 H new ATOM 0 HB2 LEU A 65 -3.169 13.591 21.328 1.00 42.10 H new ATOM 0 HB3 LEU A 65 -1.805 12.800 20.562 1.00 42.10 H new ATOM 0 HG LEU A 65 -3.536 11.222 19.490 1.00 33.15 H new ATOM 0 HD11 LEU A 65 -5.788 12.184 19.222 1.00 33.02 H new ATOM 0 HD12 LEU A 65 -5.429 11.807 20.924 1.00 33.02 H new ATOM 0 HD13 LEU A 65 -5.359 13.491 20.351 1.00 33.02 H new ATOM 0 HD21 LEU A 65 -3.977 12.832 17.678 1.00 12.41 H new ATOM 0 HD22 LEU A 65 -3.477 14.164 18.746 1.00 12.41 H new ATOM 0 HD23 LEU A 65 -2.296 12.929 18.252 1.00 12.41 H new ATOM 975 N LEU A 66 -0.607 10.602 21.665 1.00 40.22 N ATOM 976 CA LEU A 66 0.315 9.534 21.295 1.00 20.12 C ATOM 977 C LEU A 66 0.275 8.402 22.317 1.00 74.12 C ATOM 978 O LEU A 66 0.555 7.248 21.992 1.00 34.34 O ATOM 979 CB LEU A 66 1.739 10.080 21.178 1.00 1.13 C ATOM 980 CG LEU A 66 2.791 9.104 20.651 1.00 62.10 C ATOM 981 CD1 LEU A 66 2.631 8.905 19.152 1.00 43.33 C ATOM 982 CD2 LEU A 66 4.192 9.601 20.979 1.00 53.05 C ATOM 0 H LEU A 66 -0.154 11.478 21.927 1.00 40.22 H new ATOM 0 HA LEU A 66 0.004 9.138 20.328 1.00 20.12 H new ATOM 0 HB2 LEU A 66 1.720 10.951 20.523 1.00 1.13 H new ATOM 0 HB3 LEU A 66 2.055 10.428 22.161 1.00 1.13 H new ATOM 0 HG LEU A 66 2.645 8.142 21.142 1.00 62.10 H new ATOM 0 HD11 LEU A 66 3.388 8.207 18.795 1.00 43.33 H new ATOM 0 HD12 LEU A 66 1.640 8.503 18.942 1.00 43.33 H new ATOM 0 HD13 LEU A 66 2.750 9.862 18.643 1.00 43.33 H new ATOM 0 HD21 LEU A 66 4.928 8.894 20.596 1.00 53.05 H new ATOM 0 HD22 LEU A 66 4.350 10.575 20.516 1.00 53.05 H new ATOM 0 HD23 LEU A 66 4.303 9.690 22.060 1.00 53.05 H new ATOM 994 N LYS A 67 -0.078 8.740 23.553 1.00 63.34 N ATOM 995 CA LYS A 67 -0.159 7.752 24.622 1.00 1.34 C ATOM 996 C LYS A 67 -1.305 6.777 24.376 1.00 32.44 C ATOM 997 O LYS A 67 -1.331 5.682 24.938 1.00 61.10 O ATOM 998 CB LYS A 67 -0.348 8.447 25.973 1.00 43.43 C ATOM 999 CG LYS A 67 -0.595 7.486 27.122 1.00 13.13 C ATOM 1000 CD LYS A 67 -0.630 8.211 28.457 1.00 34.24 C ATOM 1001 CE LYS A 67 -2.043 8.282 29.016 1.00 54.11 C ATOM 1002 NZ LYS A 67 -2.479 6.979 29.590 1.00 74.14 N ATOM 0 H LYS A 67 -0.312 9.691 23.839 1.00 63.34 H new ATOM 0 HA LYS A 67 0.775 7.191 24.636 1.00 1.34 H new ATOM 0 HB2 LYS A 67 0.538 9.043 26.193 1.00 43.43 H new ATOM 0 HB3 LYS A 67 -1.187 9.139 25.902 1.00 43.43 H new ATOM 0 HG2 LYS A 67 -1.539 6.965 26.965 1.00 13.13 H new ATOM 0 HG3 LYS A 67 0.188 6.728 27.139 1.00 13.13 H new ATOM 0 HD2 LYS A 67 0.018 7.698 29.168 1.00 34.24 H new ATOM 0 HD3 LYS A 67 -0.235 9.219 28.335 1.00 34.24 H new ATOM 0 HE2 LYS A 67 -2.091 9.052 29.786 1.00 54.11 H new ATOM 0 HE3 LYS A 67 -2.732 8.579 28.225 1.00 54.11 H new ATOM 0 HZ1 LYS A 67 -3.447 7.069 29.960 1.00 74.14 H new ATOM 0 HZ2 LYS A 67 -2.458 6.249 28.849 1.00 74.14 H new ATOM 0 HZ3 LYS A 67 -1.837 6.707 30.362 1.00 74.14 H new ATOM 1016 N GLN A 68 -2.250 7.181 23.533 1.00 22.22 N ATOM 1017 CA GLN A 68 -3.398 6.341 23.213 1.00 22.31 C ATOM 1018 C GLN A 68 -2.995 5.200 22.284 1.00 55.21 C ATOM 1019 O GLN A 68 -3.116 4.027 22.638 1.00 63.13 O ATOM 1020 CB GLN A 68 -4.503 7.176 22.565 1.00 12.43 C ATOM 1021 CG GLN A 68 -5.746 7.316 23.430 1.00 41.24 C ATOM 1022 CD GLN A 68 -7.024 7.335 22.615 1.00 52.50 C ATOM 1023 OE1 GLN A 68 -7.022 7.718 21.445 1.00 55.43 O ATOM 1024 NE2 GLN A 68 -8.125 6.921 23.231 1.00 53.12 N ATOM 0 H GLN A 68 -2.243 8.084 23.060 1.00 22.22 H new ATOM 0 HA GLN A 68 -3.774 5.913 24.142 1.00 22.31 H new ATOM 0 HB2 GLN A 68 -4.113 8.169 22.341 1.00 12.43 H new ATOM 0 HB3 GLN A 68 -4.781 6.721 21.615 1.00 12.43 H new ATOM 0 HG2 GLN A 68 -5.785 6.490 24.140 1.00 41.24 H new ATOM 0 HG3 GLN A 68 -5.677 8.235 24.013 1.00 41.24 H new ATOM 0 HE21 GLN A 68 -8.081 6.612 24.202 1.00 53.12 H new ATOM 0 HE22 GLN A 68 -9.015 6.912 22.733 1.00 53.12 H new ATOM 1033 N ILE A 69 -2.518 5.553 21.095 1.00 73.30 N ATOM 1034 CA ILE A 69 -2.098 4.558 20.116 1.00 41.33 C ATOM 1035 C ILE A 69 -1.012 3.651 20.685 1.00 52.23 C ATOM 1036 O ILE A 69 -0.806 2.535 20.207 1.00 15.23 O ATOM 1037 CB ILE A 69 -1.574 5.222 18.829 1.00 51.15 C ATOM 1038 CG1 ILE A 69 -0.550 6.306 19.168 1.00 5.45 C ATOM 1039 CG2 ILE A 69 -2.727 5.808 18.028 1.00 73.25 C ATOM 1040 CD1 ILE A 69 0.139 6.890 17.954 1.00 33.52 C ATOM 0 H ILE A 69 -2.413 6.520 20.787 1.00 73.30 H new ATOM 0 HA ILE A 69 -2.977 3.961 19.875 1.00 41.33 H new ATOM 0 HB ILE A 69 -1.083 4.462 18.221 1.00 51.15 H new ATOM 0 HG12 ILE A 69 -1.049 7.108 19.713 1.00 5.45 H new ATOM 0 HG13 ILE A 69 0.203 5.887 19.836 1.00 5.45 H new ATOM 0 HG21 ILE A 69 -2.341 6.274 17.121 1.00 73.25 H new ATOM 0 HG22 ILE A 69 -3.424 5.014 17.759 1.00 73.25 H new ATOM 0 HG23 ILE A 69 -3.244 6.557 18.629 1.00 73.25 H new ATOM 0 HD11 ILE A 69 0.851 7.652 18.271 1.00 33.52 H new ATOM 0 HD12 ILE A 69 0.667 6.100 17.420 1.00 33.52 H new ATOM 0 HD13 ILE A 69 -0.604 7.339 17.295 1.00 33.52 H new ATOM 1052 N LYS A 70 -0.320 4.137 21.710 1.00 52.24 N ATOM 1053 CA LYS A 70 0.743 3.370 22.348 1.00 43.43 C ATOM 1054 C LYS A 70 0.181 2.133 23.041 1.00 3.52 C ATOM 1055 O LYS A 70 0.650 1.018 22.815 1.00 11.22 O ATOM 1056 CB LYS A 70 1.490 4.241 23.361 1.00 65.24 C ATOM 1057 CG LYS A 70 2.717 4.927 22.785 1.00 50.31 C ATOM 1058 CD LYS A 70 3.945 4.036 22.866 1.00 32.24 C ATOM 1059 CE LYS A 70 4.466 3.678 21.483 1.00 23.53 C ATOM 1060 NZ LYS A 70 5.123 4.838 20.820 1.00 15.21 N ATOM 0 H LYS A 70 -0.477 5.059 22.117 1.00 52.24 H new ATOM 0 HA LYS A 70 1.438 3.046 21.574 1.00 43.43 H new ATOM 0 HB2 LYS A 70 0.809 4.999 23.748 1.00 65.24 H new ATOM 0 HB3 LYS A 70 1.793 3.623 24.206 1.00 65.24 H new ATOM 0 HG2 LYS A 70 2.530 5.196 21.745 1.00 50.31 H new ATOM 0 HG3 LYS A 70 2.903 5.855 23.326 1.00 50.31 H new ATOM 0 HD2 LYS A 70 4.727 4.543 23.431 1.00 32.24 H new ATOM 0 HD3 LYS A 70 3.699 3.124 23.411 1.00 32.24 H new ATOM 0 HE2 LYS A 70 5.177 2.856 21.564 1.00 23.53 H new ATOM 0 HE3 LYS A 70 3.641 3.326 20.864 1.00 23.53 H new ATOM 0 HZ1 LYS A 70 5.464 4.553 19.880 1.00 15.21 H new ATOM 0 HZ2 LYS A 70 4.438 5.614 20.719 1.00 15.21 H new ATOM 0 HZ3 LYS A 70 5.926 5.159 21.397 1.00 15.21 H new ATOM 1074 N GLN A 71 -0.825 2.339 23.884 1.00 14.32 N ATOM 1075 CA GLN A 71 -1.451 1.240 24.609 1.00 21.24 C ATOM 1076 C GLN A 71 -2.615 0.657 23.816 1.00 74.24 C ATOM 1077 O GLN A 71 -3.075 -0.451 24.092 1.00 23.41 O ATOM 1078 CB GLN A 71 -1.939 1.716 25.978 1.00 13.34 C ATOM 1079 CG GLN A 71 -0.889 2.482 26.767 1.00 63.34 C ATOM 1080 CD GLN A 71 -0.686 1.925 28.162 1.00 2.41 C ATOM 1081 OE1 GLN A 71 -1.002 2.580 29.156 1.00 70.01 O ATOM 1082 NE2 GLN A 71 -0.156 0.711 28.244 1.00 23.41 N ATOM 0 H GLN A 71 -1.224 3.257 24.082 1.00 14.32 H new ATOM 0 HA GLN A 71 -0.704 0.459 24.749 1.00 21.24 H new ATOM 0 HB2 GLN A 71 -2.814 2.352 25.841 1.00 13.34 H new ATOM 0 HB3 GLN A 71 -2.260 0.852 26.560 1.00 13.34 H new ATOM 0 HG2 GLN A 71 0.058 2.454 26.227 1.00 63.34 H new ATOM 0 HG3 GLN A 71 -1.185 3.529 26.837 1.00 63.34 H new ATOM 0 HE21 GLN A 71 0.091 0.204 27.394 1.00 23.41 H new ATOM 0 HE22 GLN A 71 0.004 0.285 29.157 1.00 23.41 H new ATOM 1091 N ARG A 72 -3.089 1.411 22.829 1.00 65.34 N ATOM 1092 CA ARG A 72 -4.201 0.969 21.996 1.00 43.22 C ATOM 1093 C ARG A 72 -3.714 0.046 20.883 1.00 25.42 C ATOM 1094 O ARG A 72 -4.095 -1.124 20.821 1.00 2.20 O ATOM 1095 CB ARG A 72 -4.924 2.175 21.392 1.00 22.24 C ATOM 1096 CG ARG A 72 -5.787 2.929 22.390 1.00 12.22 C ATOM 1097 CD ARG A 72 -6.392 4.179 21.770 1.00 33.02 C ATOM 1098 NE ARG A 72 -7.594 3.879 20.996 1.00 45.14 N ATOM 1099 CZ ARG A 72 -8.770 3.596 21.544 1.00 41.21 C ATOM 1100 NH1 ARG A 72 -8.902 3.575 22.863 1.00 55.31 N ATOM 1101 NH2 ARG A 72 -9.817 3.334 20.772 1.00 11.12 N ATOM 0 H ARG A 72 -2.720 2.331 22.587 1.00 65.34 H new ATOM 0 HA ARG A 72 -4.896 0.414 22.626 1.00 43.22 H new ATOM 0 HB2 ARG A 72 -4.185 2.859 20.973 1.00 22.24 H new ATOM 0 HB3 ARG A 72 -5.550 1.837 20.566 1.00 22.24 H new ATOM 0 HG2 ARG A 72 -6.584 2.277 22.749 1.00 12.22 H new ATOM 0 HG3 ARG A 72 -5.186 3.205 23.256 1.00 12.22 H new ATOM 0 HD2 ARG A 72 -6.636 4.892 22.557 1.00 33.02 H new ATOM 0 HD3 ARG A 72 -5.655 4.657 21.125 1.00 33.02 H new ATOM 0 HE ARG A 72 -7.526 3.887 19.978 1.00 45.14 H new ATOM 0 HH11 ARG A 72 -8.099 3.777 23.459 1.00 55.31 H new ATOM 0 HH12 ARG A 72 -9.806 3.357 23.282 1.00 55.31 H new ATOM 0 HH21 ARG A 72 -9.719 3.350 19.757 1.00 11.12 H new ATOM 0 HH22 ARG A 72 -10.720 3.117 21.194 1.00 11.12 H new ATOM 1115 N HIS A 73 -2.869 0.579 20.006 1.00 71.43 N ATOM 1116 CA HIS A 73 -2.330 -0.198 18.895 1.00 4.21 C ATOM 1117 C HIS A 73 -0.947 0.311 18.497 1.00 15.40 C ATOM 1118 O HIS A 73 -0.772 0.962 17.467 1.00 40.32 O ATOM 1119 CB HIS A 73 -3.274 -0.135 17.695 1.00 54.34 C ATOM 1120 CG HIS A 73 -4.254 0.996 17.762 1.00 2.40 C ATOM 1121 ND1 HIS A 73 -5.585 0.822 18.076 1.00 70.41 N ATOM 1122 CD2 HIS A 73 -4.089 2.324 17.555 1.00 23.15 C ATOM 1123 CE1 HIS A 73 -6.197 1.992 18.058 1.00 42.22 C ATOM 1124 NE2 HIS A 73 -5.311 2.921 17.745 1.00 21.41 N ATOM 0 H HIS A 73 -2.543 1.545 20.043 1.00 71.43 H new ATOM 0 HA HIS A 73 -2.237 -1.234 19.220 1.00 4.21 H new ATOM 0 HB2 HIS A 73 -2.684 -0.040 16.784 1.00 54.34 H new ATOM 0 HB3 HIS A 73 -3.821 -1.075 17.624 1.00 54.34 H new ATOM 0 HD2 HIS A 73 -3.168 2.821 17.290 1.00 23.15 H new ATOM 0 HE1 HIS A 73 -7.244 2.161 18.264 1.00 42.22 H new ATOM 0 HE2 HIS A 73 -5.503 3.919 17.659 1.00 21.41 H new ATOM 1132 N PRO A 74 0.058 0.010 19.332 1.00 30.20 N ATOM 1133 CA PRO A 74 1.442 0.427 19.088 1.00 12.51 C ATOM 1134 C PRO A 74 2.070 -0.308 17.909 1.00 1.22 C ATOM 1135 O PRO A 74 3.197 -0.013 17.511 1.00 33.33 O ATOM 1136 CB PRO A 74 2.158 0.060 20.390 1.00 12.53 C ATOM 1137 CG PRO A 74 1.345 -1.045 20.971 1.00 63.02 C ATOM 1138 CD PRO A 74 -0.079 -0.763 20.578 1.00 4.32 C ATOM 0 HA PRO A 74 1.510 1.484 18.832 1.00 12.51 H new ATOM 0 HB2 PRO A 74 3.183 -0.259 20.202 1.00 12.53 H new ATOM 0 HB3 PRO A 74 2.209 0.912 21.067 1.00 12.53 H new ATOM 0 HG2 PRO A 74 1.671 -2.012 20.588 1.00 63.02 H new ATOM 0 HG3 PRO A 74 1.451 -1.079 22.055 1.00 63.02 H new ATOM 0 HD2 PRO A 74 -0.642 -1.683 20.420 1.00 4.32 H new ATOM 0 HD3 PRO A 74 -0.603 -0.196 21.347 1.00 4.32 H new ATOM 1146 N MET A 75 1.334 -1.265 17.355 1.00 71.24 N ATOM 1147 CA MET A 75 1.819 -2.041 16.219 1.00 25.35 C ATOM 1148 C MET A 75 1.964 -1.162 14.982 1.00 44.33 C ATOM 1149 O MET A 75 2.682 -1.508 14.042 1.00 32.01 O ATOM 1150 CB MET A 75 0.869 -3.204 15.925 1.00 3.31 C ATOM 1151 CG MET A 75 1.384 -4.548 16.414 1.00 52.03 C ATOM 1152 SD MET A 75 0.936 -5.905 15.314 1.00 53.42 S ATOM 1153 CE MET A 75 2.013 -5.581 13.920 1.00 1.51 C ATOM 0 H MET A 75 0.400 -1.522 17.674 1.00 71.24 H new ATOM 0 HA MET A 75 2.800 -2.440 16.476 1.00 25.35 H new ATOM 0 HB2 MET A 75 -0.095 -3.002 16.392 1.00 3.31 H new ATOM 0 HB3 MET A 75 0.697 -3.259 14.850 1.00 3.31 H new ATOM 0 HG2 MET A 75 2.469 -4.505 16.508 1.00 52.03 H new ATOM 0 HG3 MET A 75 0.985 -4.745 17.409 1.00 52.03 H new ATOM 0 HE1 MET A 75 2.111 -6.484 13.318 1.00 1.51 H new ATOM 0 HE2 MET A 75 1.589 -4.783 13.311 1.00 1.51 H new ATOM 0 HE3 MET A 75 2.996 -5.278 14.282 1.00 1.51 H new ATOM 1163 N LEU A 76 1.280 -0.024 14.987 1.00 55.51 N ATOM 1164 CA LEU A 76 1.332 0.906 13.864 1.00 50.02 C ATOM 1165 C LEU A 76 2.469 1.908 14.039 1.00 70.44 C ATOM 1166 O LEU A 76 2.793 2.328 15.149 1.00 4.23 O ATOM 1167 CB LEU A 76 0.001 1.647 13.727 1.00 12.11 C ATOM 1168 CG LEU A 76 -0.157 2.906 14.581 1.00 75.32 C ATOM 1169 CD1 LEU A 76 -0.020 4.154 13.723 1.00 75.35 C ATOM 1170 CD2 LEU A 76 -1.498 2.896 15.301 1.00 2.34 C ATOM 0 H LEU A 76 0.682 0.278 15.756 1.00 55.51 H new ATOM 0 HA LEU A 76 1.515 0.331 12.956 1.00 50.02 H new ATOM 0 HB2 LEU A 76 -0.133 1.923 12.681 1.00 12.11 H new ATOM 0 HB3 LEU A 76 -0.804 0.957 13.980 1.00 12.11 H new ATOM 0 HG LEU A 76 0.635 2.916 15.329 1.00 75.32 H new ATOM 0 HD11 LEU A 76 -0.135 5.040 14.348 1.00 75.35 H new ATOM 0 HD12 LEU A 76 0.964 4.167 13.254 1.00 75.35 H new ATOM 0 HD13 LEU A 76 -0.790 4.152 12.952 1.00 75.35 H new ATOM 0 HD21 LEU A 76 -1.594 3.799 15.904 1.00 2.34 H new ATOM 0 HD22 LEU A 76 -2.304 2.862 14.568 1.00 2.34 H new ATOM 0 HD23 LEU A 76 -1.558 2.020 15.947 1.00 2.34 H new ATOM 1182 N PRO A 77 3.089 2.302 12.916 1.00 33.41 N ATOM 1183 CA PRO A 77 4.197 3.261 12.919 1.00 62.22 C ATOM 1184 C PRO A 77 3.743 4.671 13.279 1.00 34.04 C ATOM 1185 O PRO A 77 2.622 5.072 12.965 1.00 11.23 O ATOM 1186 CB PRO A 77 4.708 3.216 11.477 1.00 44.23 C ATOM 1187 CG PRO A 77 3.535 2.773 10.672 1.00 23.25 C ATOM 1188 CD PRO A 77 2.755 1.841 11.558 1.00 55.32 C ATOM 0 HA PRO A 77 4.953 3.008 13.662 1.00 62.22 H new ATOM 0 HB2 PRO A 77 5.064 4.194 11.153 1.00 44.23 H new ATOM 0 HB3 PRO A 77 5.543 2.523 11.374 1.00 44.23 H new ATOM 0 HG2 PRO A 77 2.926 3.624 10.368 1.00 23.25 H new ATOM 0 HG3 PRO A 77 3.855 2.269 9.760 1.00 23.25 H new ATOM 0 HD2 PRO A 77 1.684 1.904 11.364 1.00 55.32 H new ATOM 0 HD3 PRO A 77 3.046 0.802 11.403 1.00 55.32 H new ATOM 1196 N VAL A 78 4.620 5.420 13.940 1.00 32.35 N ATOM 1197 CA VAL A 78 4.309 6.786 14.342 1.00 11.35 C ATOM 1198 C VAL A 78 5.548 7.673 14.280 1.00 75.12 C ATOM 1199 O VAL A 78 6.670 7.202 14.467 1.00 50.25 O ATOM 1200 CB VAL A 78 3.729 6.834 15.768 1.00 33.35 C ATOM 1201 CG1 VAL A 78 3.242 8.236 16.101 1.00 62.01 C ATOM 1202 CG2 VAL A 78 2.604 5.820 15.920 1.00 42.44 C ATOM 0 H VAL A 78 5.552 5.103 14.208 1.00 32.35 H new ATOM 0 HA VAL A 78 3.562 7.159 13.641 1.00 11.35 H new ATOM 0 HB VAL A 78 4.520 6.574 16.471 1.00 33.35 H new ATOM 0 HG11 VAL A 78 2.836 8.249 17.112 1.00 62.01 H new ATOM 0 HG12 VAL A 78 4.075 8.936 16.035 1.00 62.01 H new ATOM 0 HG13 VAL A 78 2.466 8.529 15.394 1.00 62.01 H new ATOM 0 HG21 VAL A 78 2.206 5.868 16.934 1.00 42.44 H new ATOM 0 HG22 VAL A 78 1.811 6.047 15.208 1.00 42.44 H new ATOM 0 HG23 VAL A 78 2.989 4.818 15.728 1.00 42.44 H new ATOM 1212 N ILE A 79 5.336 8.958 14.016 1.00 32.14 N ATOM 1213 CA ILE A 79 6.435 9.911 13.931 1.00 64.22 C ATOM 1214 C ILE A 79 6.167 11.139 14.793 1.00 13.34 C ATOM 1215 O ILE A 79 5.075 11.709 14.757 1.00 24.33 O ATOM 1216 CB ILE A 79 6.679 10.361 12.478 1.00 33.21 C ATOM 1217 CG1 ILE A 79 6.793 9.145 11.557 1.00 72.52 C ATOM 1218 CG2 ILE A 79 7.933 11.217 12.392 1.00 63.11 C ATOM 1219 CD1 ILE A 79 6.892 9.504 10.091 1.00 53.12 C ATOM 0 H ILE A 79 4.413 9.363 13.857 1.00 32.14 H new ATOM 0 HA ILE A 79 7.324 9.399 14.299 1.00 64.22 H new ATOM 0 HB ILE A 79 5.830 10.962 12.152 1.00 33.21 H new ATOM 0 HG12 ILE A 79 7.672 8.566 11.841 1.00 72.52 H new ATOM 0 HG13 ILE A 79 5.925 8.503 11.708 1.00 72.52 H new ATOM 0 HG21 ILE A 79 8.092 11.527 11.359 1.00 63.11 H new ATOM 0 HG22 ILE A 79 7.815 12.099 13.022 1.00 63.11 H new ATOM 0 HG23 ILE A 79 8.792 10.639 12.734 1.00 63.11 H new ATOM 0 HD11 ILE A 79 6.970 8.593 9.498 1.00 53.12 H new ATOM 0 HD12 ILE A 79 6.002 10.057 9.791 1.00 53.12 H new ATOM 0 HD13 ILE A 79 7.775 10.121 9.926 1.00 53.12 H new ATOM 1231 N ILE A 80 7.169 11.543 15.566 1.00 11.25 N ATOM 1232 CA ILE A 80 7.042 12.706 16.436 1.00 55.20 C ATOM 1233 C ILE A 80 7.384 13.991 15.689 1.00 21.14 C ATOM 1234 O ILE A 80 8.401 14.068 15.001 1.00 42.21 O ATOM 1235 CB ILE A 80 7.951 12.587 17.673 1.00 21.50 C ATOM 1236 CG1 ILE A 80 7.847 11.184 18.276 1.00 14.32 C ATOM 1237 CG2 ILE A 80 7.583 13.642 18.705 1.00 31.22 C ATOM 1238 CD1 ILE A 80 6.435 10.793 18.654 1.00 62.40 C ATOM 0 H ILE A 80 8.078 11.082 15.608 1.00 11.25 H new ATOM 0 HA ILE A 80 6.003 12.743 16.762 1.00 55.20 H new ATOM 0 HB ILE A 80 8.983 12.754 17.365 1.00 21.50 H new ATOM 0 HG12 ILE A 80 8.237 10.460 17.561 1.00 14.32 H new ATOM 0 HG13 ILE A 80 8.480 11.130 19.162 1.00 14.32 H new ATOM 0 HG21 ILE A 80 8.235 13.544 19.573 1.00 31.22 H new ATOM 0 HG22 ILE A 80 7.704 14.634 18.270 1.00 31.22 H new ATOM 0 HG23 ILE A 80 6.546 13.504 19.012 1.00 31.22 H new ATOM 0 HD11 ILE A 80 6.436 9.787 19.075 1.00 62.40 H new ATOM 0 HD12 ILE A 80 6.049 11.495 19.393 1.00 62.40 H new ATOM 0 HD13 ILE A 80 5.802 10.815 17.767 1.00 62.40 H new ATOM 1250 N MET A 81 6.529 14.998 15.832 1.00 34.13 N ATOM 1251 CA MET A 81 6.743 16.281 15.174 1.00 54.25 C ATOM 1252 C MET A 81 6.537 17.435 16.150 1.00 34.32 C ATOM 1253 O MET A 81 5.474 17.565 16.758 1.00 13.14 O ATOM 1254 CB MET A 81 5.795 16.431 13.982 1.00 41.22 C ATOM 1255 CG MET A 81 5.693 17.856 13.462 1.00 1.11 C ATOM 1256 SD MET A 81 4.887 17.952 11.852 1.00 42.10 S ATOM 1257 CE MET A 81 3.246 17.363 12.259 1.00 34.23 C ATOM 0 H MET A 81 5.682 14.950 16.398 1.00 34.13 H new ATOM 0 HA MET A 81 7.773 16.310 14.817 1.00 54.25 H new ATOM 0 HB2 MET A 81 6.134 15.782 13.175 1.00 41.22 H new ATOM 0 HB3 MET A 81 4.802 16.087 14.272 1.00 41.22 H new ATOM 0 HG2 MET A 81 5.138 18.461 14.179 1.00 1.11 H new ATOM 0 HG3 MET A 81 6.693 18.285 13.390 1.00 1.11 H new ATOM 0 HE1 MET A 81 2.897 16.689 11.477 1.00 34.23 H new ATOM 0 HE2 MET A 81 3.276 16.831 13.210 1.00 34.23 H new ATOM 0 HE3 MET A 81 2.565 18.210 12.338 1.00 34.23 H new ATOM 1267 N THR A 82 7.560 18.270 16.297 1.00 42.43 N ATOM 1268 CA THR A 82 7.492 19.412 17.200 1.00 33.24 C ATOM 1269 C THR A 82 8.754 20.261 17.110 1.00 3.12 C ATOM 1270 O THR A 82 9.593 20.052 16.234 1.00 52.30 O ATOM 1271 CB THR A 82 7.293 18.961 18.660 1.00 53.50 C ATOM 1272 OG1 THR A 82 6.898 20.076 19.467 1.00 2.52 O ATOM 1273 CG2 THR A 82 8.570 18.352 19.217 1.00 4.33 C ATOM 0 H THR A 82 8.447 18.177 15.802 1.00 42.43 H new ATOM 0 HA THR A 82 6.634 20.009 16.891 1.00 33.24 H new ATOM 0 HB THR A 82 6.510 18.203 18.680 1.00 53.50 H new ATOM 0 HG1 THR A 82 7.350 20.028 20.335 1.00 2.52 H new ATOM 0 HG21 THR A 82 8.405 18.041 20.249 1.00 4.33 H new ATOM 0 HG22 THR A 82 8.852 17.486 18.618 1.00 4.33 H new ATOM 0 HG23 THR A 82 9.370 19.092 19.184 1.00 4.33 H new ATOM 1281 N ALA A 83 8.884 21.219 18.022 1.00 11.11 N ATOM 1282 CA ALA A 83 10.046 22.098 18.047 1.00 42.23 C ATOM 1283 C ALA A 83 10.970 21.755 19.210 1.00 30.43 C ATOM 1284 O ALA A 83 10.805 20.724 19.864 1.00 53.11 O ATOM 1285 CB ALA A 83 9.606 23.552 18.131 1.00 45.40 C ATOM 0 H ALA A 83 8.198 21.406 18.754 1.00 11.11 H new ATOM 0 HA ALA A 83 10.602 21.951 17.121 1.00 42.23 H new ATOM 0 HB1 ALA A 83 10.484 24.197 18.149 1.00 45.40 H new ATOM 0 HB2 ALA A 83 8.993 23.797 17.264 1.00 45.40 H new ATOM 0 HB3 ALA A 83 9.025 23.704 19.041 1.00 45.40 H new ATOM 1291 N HIS A 84 11.943 22.624 19.464 1.00 64.32 N ATOM 1292 CA HIS A 84 12.894 22.412 20.549 1.00 21.54 C ATOM 1293 C HIS A 84 12.167 22.115 21.858 1.00 64.53 C ATOM 1294 O HIS A 84 12.683 21.400 22.717 1.00 21.20 O ATOM 1295 CB HIS A 84 13.791 23.639 20.718 1.00 75.44 C ATOM 1296 CG HIS A 84 13.081 24.825 21.294 1.00 35.44 C ATOM 1297 ND1 HIS A 84 13.475 25.444 22.461 1.00 24.14 N ATOM 1298 CD2 HIS A 84 11.996 25.506 20.857 1.00 72.10 C ATOM 1299 CE1 HIS A 84 12.663 26.454 22.718 1.00 62.22 C ATOM 1300 NE2 HIS A 84 11.757 26.513 21.759 1.00 13.30 N ATOM 0 H HIS A 84 12.094 23.482 18.933 1.00 64.32 H new ATOM 0 HA HIS A 84 13.513 21.552 20.293 1.00 21.54 H new ATOM 0 HB2 HIS A 84 14.630 23.379 21.364 1.00 75.44 H new ATOM 0 HB3 HIS A 84 14.207 23.911 19.748 1.00 75.44 H new ATOM 0 HD2 HIS A 84 11.425 25.296 19.965 1.00 72.10 H new ATOM 0 HE1 HIS A 84 12.729 27.118 23.567 1.00 62.22 H new ATOM 0 HE2 HIS A 84 11.002 27.196 21.698 1.00 13.30 H new ATOM 1308 N SER A 85 10.968 22.669 22.002 1.00 72.43 N ATOM 1309 CA SER A 85 10.172 22.467 23.207 1.00 24.21 C ATOM 1310 C SER A 85 9.774 21.002 23.356 1.00 30.40 C ATOM 1311 O SER A 85 9.284 20.381 22.412 1.00 13.24 O ATOM 1312 CB SER A 85 8.921 23.346 23.171 1.00 40.20 C ATOM 1313 OG SER A 85 8.680 23.942 24.434 1.00 74.11 O ATOM 0 H SER A 85 10.526 23.261 21.299 1.00 72.43 H new ATOM 0 HA SER A 85 10.781 22.749 24.066 1.00 24.21 H new ATOM 0 HB2 SER A 85 9.040 24.123 22.416 1.00 40.20 H new ATOM 0 HB3 SER A 85 8.059 22.746 22.878 1.00 40.20 H new ATOM 0 HG SER A 85 7.977 24.620 24.347 1.00 74.11 H new ATOM 1319 N ASP A 86 9.988 20.455 24.548 1.00 43.23 N ATOM 1320 CA ASP A 86 9.651 19.063 24.822 1.00 3.34 C ATOM 1321 C ASP A 86 10.449 18.123 23.924 1.00 51.43 C ATOM 1322 O ASP A 86 10.089 16.958 23.750 1.00 15.43 O ATOM 1323 CB ASP A 86 8.153 18.830 24.623 1.00 11.20 C ATOM 1324 CG ASP A 86 7.373 18.934 25.919 1.00 23.52 C ATOM 1325 OD1 ASP A 86 7.461 19.988 26.582 1.00 11.51 O ATOM 1326 OD2 ASP A 86 6.675 17.960 26.270 1.00 30.22 O ATOM 0 H ASP A 86 10.393 20.954 25.340 1.00 43.23 H new ATOM 0 HA ASP A 86 9.909 18.850 25.859 1.00 3.34 H new ATOM 0 HB2 ASP A 86 7.767 19.559 23.910 1.00 11.20 H new ATOM 0 HB3 ASP A 86 7.997 17.844 24.187 1.00 11.20 H new ATOM 1331 N LEU A 87 11.533 18.637 23.354 1.00 42.14 N ATOM 1332 CA LEU A 87 12.382 17.844 22.471 1.00 2.22 C ATOM 1333 C LEU A 87 12.949 16.633 23.205 1.00 74.44 C ATOM 1334 O LEU A 87 13.374 15.660 22.581 1.00 34.21 O ATOM 1335 CB LEU A 87 13.524 18.702 21.923 1.00 54.23 C ATOM 1336 CG LEU A 87 14.697 17.942 21.303 1.00 11.03 C ATOM 1337 CD1 LEU A 87 14.233 17.130 20.104 1.00 43.43 C ATOM 1338 CD2 LEU A 87 15.804 18.906 20.902 1.00 63.51 C ATOM 0 H LEU A 87 11.845 19.599 23.487 1.00 42.14 H new ATOM 0 HA LEU A 87 11.771 17.490 21.641 1.00 2.22 H new ATOM 0 HB2 LEU A 87 13.116 19.377 21.170 1.00 54.23 H new ATOM 0 HB3 LEU A 87 13.907 19.322 22.733 1.00 54.23 H new ATOM 0 HG LEU A 87 15.095 17.254 22.049 1.00 11.03 H new ATOM 0 HD11 LEU A 87 15.081 16.596 19.676 1.00 43.43 H new ATOM 0 HD12 LEU A 87 13.476 16.413 20.421 1.00 43.43 H new ATOM 0 HD13 LEU A 87 13.809 17.798 19.354 1.00 43.43 H new ATOM 0 HD21 LEU A 87 16.631 18.348 20.463 1.00 63.51 H new ATOM 0 HD22 LEU A 87 15.419 19.619 20.173 1.00 63.51 H new ATOM 0 HD23 LEU A 87 16.156 19.443 21.783 1.00 63.51 H new ATOM 1350 N ASP A 88 12.949 16.698 24.531 1.00 23.04 N ATOM 1351 CA ASP A 88 13.460 15.605 25.350 1.00 22.15 C ATOM 1352 C ASP A 88 12.751 14.297 25.015 1.00 70.34 C ATOM 1353 O ASP A 88 13.315 13.215 25.173 1.00 25.21 O ATOM 1354 CB ASP A 88 13.286 15.927 26.835 1.00 12.44 C ATOM 1355 CG ASP A 88 11.858 15.731 27.307 1.00 64.42 C ATOM 1356 OD1 ASP A 88 11.460 14.567 27.524 1.00 20.11 O ATOM 1357 OD2 ASP A 88 11.140 16.740 27.459 1.00 10.33 O ATOM 0 H ASP A 88 12.601 17.496 25.062 1.00 23.04 H new ATOM 0 HA ASP A 88 14.522 15.488 25.133 1.00 22.15 H new ATOM 0 HB2 ASP A 88 13.950 15.292 27.422 1.00 12.44 H new ATOM 0 HB3 ASP A 88 13.588 16.958 27.018 1.00 12.44 H new ATOM 1362 N ALA A 89 11.510 14.404 24.551 1.00 41.40 N ATOM 1363 CA ALA A 89 10.724 13.230 24.192 1.00 2.41 C ATOM 1364 C ALA A 89 11.306 12.534 22.967 1.00 50.04 C ATOM 1365 O ALA A 89 11.050 11.353 22.732 1.00 51.51 O ATOM 1366 CB ALA A 89 9.275 13.622 23.941 1.00 24.21 C ATOM 0 H ALA A 89 11.027 15.292 24.415 1.00 41.40 H new ATOM 0 HA ALA A 89 10.760 12.530 25.026 1.00 2.41 H new ATOM 0 HB1 ALA A 89 8.699 12.736 23.674 1.00 24.21 H new ATOM 0 HB2 ALA A 89 8.857 14.068 24.844 1.00 24.21 H new ATOM 0 HB3 ALA A 89 9.229 14.344 23.125 1.00 24.21 H new ATOM 1372 N ALA A 90 12.089 13.273 22.188 1.00 43.11 N ATOM 1373 CA ALA A 90 12.708 12.726 20.987 1.00 23.31 C ATOM 1374 C ALA A 90 13.528 11.481 21.311 1.00 43.33 C ATOM 1375 O ALA A 90 13.605 10.550 20.509 1.00 42.42 O ATOM 1376 CB ALA A 90 13.582 13.776 20.318 1.00 53.33 C ATOM 0 H ALA A 90 12.310 14.253 22.367 1.00 43.11 H new ATOM 0 HA ALA A 90 11.914 12.438 20.298 1.00 23.31 H new ATOM 0 HB1 ALA A 90 14.038 13.353 19.423 1.00 53.33 H new ATOM 0 HB2 ALA A 90 12.971 14.636 20.043 1.00 53.33 H new ATOM 0 HB3 ALA A 90 14.364 14.092 21.008 1.00 53.33 H new ATOM 1382 N VAL A 91 14.140 11.472 22.491 1.00 65.14 N ATOM 1383 CA VAL A 91 14.955 10.341 22.920 1.00 12.53 C ATOM 1384 C VAL A 91 14.086 9.218 23.474 1.00 23.34 C ATOM 1385 O VAL A 91 14.215 8.063 23.069 1.00 33.50 O ATOM 1386 CB VAL A 91 15.977 10.762 23.993 1.00 62.21 C ATOM 1387 CG1 VAL A 91 16.959 9.633 24.266 1.00 65.00 C ATOM 1388 CG2 VAL A 91 16.709 12.025 23.565 1.00 62.33 C ATOM 0 H VAL A 91 14.087 12.234 23.167 1.00 65.14 H new ATOM 0 HA VAL A 91 15.490 9.983 22.040 1.00 12.53 H new ATOM 0 HB VAL A 91 15.441 10.977 24.917 1.00 62.21 H new ATOM 0 HG11 VAL A 91 17.674 9.948 25.026 1.00 65.00 H new ATOM 0 HG12 VAL A 91 16.416 8.756 24.619 1.00 65.00 H new ATOM 0 HG13 VAL A 91 17.492 9.384 23.348 1.00 65.00 H new ATOM 0 HG21 VAL A 91 17.427 12.308 24.335 1.00 62.33 H new ATOM 0 HG22 VAL A 91 17.235 11.841 22.628 1.00 62.33 H new ATOM 0 HG23 VAL A 91 15.990 12.832 23.425 1.00 62.33 H new ATOM 1398 N SER A 92 13.201 9.564 24.404 1.00 43.44 N ATOM 1399 CA SER A 92 12.313 8.584 25.017 1.00 52.04 C ATOM 1400 C SER A 92 11.486 7.862 23.957 1.00 42.45 C ATOM 1401 O SER A 92 11.043 6.733 24.162 1.00 12.02 O ATOM 1402 CB SER A 92 11.386 9.265 26.026 1.00 62.12 C ATOM 1403 OG SER A 92 11.542 8.706 27.319 1.00 52.13 O ATOM 0 H SER A 92 13.080 10.516 24.749 1.00 43.44 H new ATOM 0 HA SER A 92 12.927 7.849 25.537 1.00 52.04 H new ATOM 0 HB2 SER A 92 11.601 10.333 26.060 1.00 62.12 H new ATOM 0 HB3 SER A 92 10.350 9.159 25.703 1.00 62.12 H new ATOM 0 HG SER A 92 10.940 9.159 27.946 1.00 52.13 H new ATOM 1409 N ALA A 93 11.283 8.524 22.822 1.00 64.22 N ATOM 1410 CA ALA A 93 10.512 7.946 21.728 1.00 4.01 C ATOM 1411 C ALA A 93 11.270 6.799 21.068 1.00 20.24 C ATOM 1412 O ALA A 93 10.721 5.716 20.863 1.00 54.34 O ATOM 1413 CB ALA A 93 10.171 9.015 20.701 1.00 54.21 C ATOM 0 H ALA A 93 11.642 9.461 22.636 1.00 64.22 H new ATOM 0 HA ALA A 93 9.586 7.545 22.141 1.00 4.01 H new ATOM 0 HB1 ALA A 93 9.595 8.570 19.890 1.00 54.21 H new ATOM 0 HB2 ALA A 93 9.582 9.800 21.175 1.00 54.21 H new ATOM 0 HB3 ALA A 93 11.091 9.442 20.301 1.00 54.21 H new ATOM 1419 N TYR A 94 12.533 7.043 20.738 1.00 23.15 N ATOM 1420 CA TYR A 94 13.365 6.031 20.099 1.00 64.32 C ATOM 1421 C TYR A 94 13.338 4.725 20.888 1.00 43.13 C ATOM 1422 O TYR A 94 13.156 3.649 20.320 1.00 74.31 O ATOM 1423 CB TYR A 94 14.805 6.531 19.969 1.00 11.41 C ATOM 1424 CG TYR A 94 14.967 7.659 18.975 1.00 55.11 C ATOM 1425 CD1 TYR A 94 14.349 7.609 17.731 1.00 20.42 C ATOM 1426 CD2 TYR A 94 15.737 8.774 19.279 1.00 42.53 C ATOM 1427 CE1 TYR A 94 14.494 8.636 16.819 1.00 3.13 C ATOM 1428 CE2 TYR A 94 15.887 9.807 18.374 1.00 52.34 C ATOM 1429 CZ TYR A 94 15.264 9.733 17.145 1.00 13.53 C ATOM 1430 OH TYR A 94 15.411 10.760 16.240 1.00 24.45 O ATOM 0 H TYR A 94 13.003 7.933 20.903 1.00 23.15 H new ATOM 0 HA TYR A 94 12.962 5.842 19.104 1.00 64.32 H new ATOM 0 HB2 TYR A 94 15.154 6.866 20.946 1.00 11.41 H new ATOM 0 HB3 TYR A 94 15.444 5.700 19.670 1.00 11.41 H new ATOM 0 HD1 TYR A 94 13.745 6.752 17.473 1.00 20.42 H new ATOM 0 HD2 TYR A 94 16.227 8.835 20.240 1.00 42.53 H new ATOM 0 HE1 TYR A 94 14.007 8.580 15.856 1.00 3.13 H new ATOM 0 HE2 TYR A 94 16.488 10.668 18.627 1.00 52.34 H new ATOM 0 HH TYR A 94 15.983 11.456 16.625 1.00 24.45 H new ATOM 1440 N GLN A 95 13.521 4.830 22.200 1.00 41.41 N ATOM 1441 CA GLN A 95 13.518 3.659 23.068 1.00 72.44 C ATOM 1442 C GLN A 95 12.120 3.056 23.163 1.00 61.43 C ATOM 1443 O GLN A 95 11.964 1.874 23.468 1.00 61.31 O ATOM 1444 CB GLN A 95 14.022 4.030 24.463 1.00 20.22 C ATOM 1445 CG GLN A 95 13.104 4.986 25.207 1.00 1.23 C ATOM 1446 CD GLN A 95 13.417 5.062 26.689 1.00 45.14 C ATOM 1447 OE1 GLN A 95 12.557 4.804 27.531 1.00 62.11 O ATOM 1448 NE2 GLN A 95 14.655 5.418 27.015 1.00 74.32 N ATOM 0 H GLN A 95 13.673 5.714 22.685 1.00 41.41 H new ATOM 0 HA GLN A 95 14.186 2.915 22.635 1.00 72.44 H new ATOM 0 HB2 GLN A 95 14.139 3.120 25.052 1.00 20.22 H new ATOM 0 HB3 GLN A 95 15.010 4.482 24.375 1.00 20.22 H new ATOM 0 HG2 GLN A 95 13.191 5.981 24.770 1.00 1.23 H new ATOM 0 HG3 GLN A 95 12.070 4.668 25.074 1.00 1.23 H new ATOM 0 HE21 GLN A 95 15.336 5.623 26.284 1.00 74.32 H new ATOM 0 HE22 GLN A 95 14.924 5.486 27.996 1.00 74.32 H new ATOM 1457 N GLN A 96 11.108 3.876 22.900 1.00 70.11 N ATOM 1458 CA GLN A 96 9.723 3.423 22.957 1.00 23.32 C ATOM 1459 C GLN A 96 9.323 2.730 21.659 1.00 60.11 C ATOM 1460 O GLN A 96 8.343 1.987 21.616 1.00 2.23 O ATOM 1461 CB GLN A 96 8.789 4.603 23.228 1.00 11.14 C ATOM 1462 CG GLN A 96 8.113 4.544 24.589 1.00 44.31 C ATOM 1463 CD GLN A 96 7.659 5.907 25.074 1.00 20.33 C ATOM 1464 OE1 GLN A 96 6.348 6.095 25.168 1.00 63.31 O flip ATOM 1465 NE2 GLN A 96 8.477 6.781 25.362 1.00 51.11 N flip ATOM 0 H GLN A 96 11.221 4.857 22.645 1.00 70.11 H new ATOM 0 HA GLN A 96 9.635 2.705 23.772 1.00 23.32 H new ATOM 0 HB2 GLN A 96 9.357 5.530 23.154 1.00 11.14 H new ATOM 0 HB3 GLN A 96 8.024 4.635 22.453 1.00 11.14 H new ATOM 0 HG2 GLN A 96 7.253 3.877 24.535 1.00 44.31 H new ATOM 0 HG3 GLN A 96 8.804 4.115 25.315 1.00 44.31 H new ATOM 0 HE21 GLN A 96 9.476 6.593 25.275 1.00 51.11 H new ATOM 0 HE22 GLN A 96 8.156 7.693 25.688 1.00 51.11 H new ATOM 1474 N GLY A 97 10.089 2.979 20.600 1.00 35.35 N ATOM 1475 CA GLY A 97 9.797 2.372 19.315 1.00 61.30 C ATOM 1476 C GLY A 97 9.463 3.399 18.251 1.00 31.42 C ATOM 1477 O GLY A 97 8.846 3.074 17.237 1.00 30.53 O ATOM 0 H GLY A 97 10.906 3.590 20.610 1.00 35.35 H new ATOM 0 HA2 GLY A 97 10.656 1.784 18.991 1.00 61.30 H new ATOM 0 HA3 GLY A 97 8.961 1.682 19.424 1.00 61.30 H new ATOM 1481 N ALA A 98 9.870 4.642 18.483 1.00 12.32 N ATOM 1482 CA ALA A 98 9.610 5.720 17.537 1.00 62.03 C ATOM 1483 C ALA A 98 10.082 5.346 16.136 1.00 72.44 C ATOM 1484 O ALA A 98 10.877 4.421 15.964 1.00 51.54 O ATOM 1485 CB ALA A 98 10.287 7.002 17.998 1.00 13.23 C ATOM 0 H ALA A 98 10.381 4.928 19.318 1.00 12.32 H new ATOM 0 HA ALA A 98 8.533 5.884 17.499 1.00 62.03 H new ATOM 0 HB1 ALA A 98 10.084 7.798 17.282 1.00 13.23 H new ATOM 0 HB2 ALA A 98 9.900 7.286 18.976 1.00 13.23 H new ATOM 0 HB3 ALA A 98 11.363 6.841 18.067 1.00 13.23 H new ATOM 1491 N PHE A 99 9.586 6.068 15.137 1.00 42.43 N ATOM 1492 CA PHE A 99 9.956 5.811 13.750 1.00 72.32 C ATOM 1493 C PHE A 99 10.937 6.864 13.244 1.00 54.44 C ATOM 1494 O PHE A 99 11.917 6.543 12.572 1.00 41.41 O ATOM 1495 CB PHE A 99 8.709 5.790 12.863 1.00 41.11 C ATOM 1496 CG PHE A 99 8.958 5.228 11.492 1.00 33.04 C ATOM 1497 CD1 PHE A 99 8.982 3.858 11.285 1.00 14.20 C ATOM 1498 CD2 PHE A 99 9.167 6.069 10.412 1.00 51.24 C ATOM 1499 CE1 PHE A 99 9.211 3.338 10.025 1.00 12.51 C ATOM 1500 CE2 PHE A 99 9.396 5.555 9.149 1.00 2.21 C ATOM 1501 CZ PHE A 99 9.417 4.188 8.956 1.00 62.14 C ATOM 0 H PHE A 99 8.927 6.836 15.262 1.00 42.43 H new ATOM 0 HA PHE A 99 10.442 4.837 13.704 1.00 72.32 H new ATOM 0 HB2 PHE A 99 7.934 5.201 13.353 1.00 41.11 H new ATOM 0 HB3 PHE A 99 8.324 6.805 12.766 1.00 41.11 H new ATOM 0 HD1 PHE A 99 8.820 3.189 12.117 1.00 14.20 H new ATOM 0 HD2 PHE A 99 9.151 7.139 10.558 1.00 51.24 H new ATOM 0 HE1 PHE A 99 9.229 2.268 9.877 1.00 12.51 H new ATOM 0 HE2 PHE A 99 9.558 6.222 8.315 1.00 2.21 H new ATOM 0 HZ PHE A 99 9.594 3.784 7.970 1.00 62.14 H new ATOM 1511 N ASP A 100 10.664 8.123 13.570 1.00 21.23 N ATOM 1512 CA ASP A 100 11.522 9.225 13.150 1.00 72.22 C ATOM 1513 C ASP A 100 11.012 10.552 13.704 1.00 63.33 C ATOM 1514 O ASP A 100 9.968 10.605 14.354 1.00 61.30 O ATOM 1515 CB ASP A 100 11.594 9.289 11.623 1.00 1.14 C ATOM 1516 CG ASP A 100 13.018 9.404 11.116 1.00 51.54 C ATOM 1517 OD1 ASP A 100 13.879 9.900 11.872 1.00 32.12 O ATOM 1518 OD2 ASP A 100 13.271 9.000 9.961 1.00 2.13 O ATOM 0 H ASP A 100 9.855 8.406 14.124 1.00 21.23 H new ATOM 0 HA ASP A 100 12.522 9.047 13.546 1.00 72.22 H new ATOM 0 HB2 ASP A 100 11.133 8.396 11.202 1.00 1.14 H new ATOM 0 HB3 ASP A 100 11.015 10.143 11.270 1.00 1.14 H new ATOM 1523 N TYR A 101 11.757 11.621 13.443 1.00 74.54 N ATOM 1524 CA TYR A 101 11.382 12.947 13.918 1.00 43.11 C ATOM 1525 C TYR A 101 11.180 13.907 12.750 1.00 50.42 C ATOM 1526 O TYR A 101 12.141 14.341 12.113 1.00 3.45 O ATOM 1527 CB TYR A 101 12.454 13.494 14.863 1.00 55.42 C ATOM 1528 CG TYR A 101 12.042 14.763 15.576 1.00 74.53 C ATOM 1529 CD1 TYR A 101 10.867 14.817 16.316 1.00 23.32 C ATOM 1530 CD2 TYR A 101 12.828 15.907 15.509 1.00 35.53 C ATOM 1531 CE1 TYR A 101 10.487 15.973 16.968 1.00 12.54 C ATOM 1532 CE2 TYR A 101 12.456 17.067 16.160 1.00 54.34 C ATOM 1533 CZ TYR A 101 11.284 17.096 16.887 1.00 23.13 C ATOM 1534 OH TYR A 101 10.909 18.250 17.537 1.00 65.23 O ATOM 0 H TYR A 101 12.623 11.595 12.905 1.00 74.54 H new ATOM 0 HA TYR A 101 10.440 12.859 14.459 1.00 43.11 H new ATOM 0 HB2 TYR A 101 12.696 12.733 15.605 1.00 55.42 H new ATOM 0 HB3 TYR A 101 13.364 13.686 14.295 1.00 55.42 H new ATOM 0 HD1 TYR A 101 10.241 13.940 16.382 1.00 23.32 H new ATOM 0 HD2 TYR A 101 13.745 15.889 14.939 1.00 35.53 H new ATOM 0 HE1 TYR A 101 9.570 15.998 17.539 1.00 12.54 H new ATOM 0 HE2 TYR A 101 13.080 17.947 16.100 1.00 54.34 H new ATOM 0 HH TYR A 101 10.780 18.967 16.882 1.00 65.23 H new ATOM 1544 N LEU A 102 9.923 14.236 12.473 1.00 32.45 N ATOM 1545 CA LEU A 102 9.592 15.145 11.382 1.00 13.53 C ATOM 1546 C LEU A 102 9.023 16.455 11.919 1.00 42.21 C ATOM 1547 O LEU A 102 7.817 16.699 11.881 1.00 71.24 O ATOM 1548 CB LEU A 102 8.586 14.491 10.433 1.00 23.33 C ATOM 1549 CG LEU A 102 8.421 15.157 9.067 1.00 12.00 C ATOM 1550 CD1 LEU A 102 9.691 15.010 8.244 1.00 60.52 C ATOM 1551 CD2 LEU A 102 7.231 14.565 8.326 1.00 51.23 C ATOM 0 H LEU A 102 9.116 13.886 12.990 1.00 32.45 H new ATOM 0 HA LEU A 102 10.509 15.364 10.835 1.00 13.53 H new ATOM 0 HB2 LEU A 102 8.886 13.455 10.276 1.00 23.33 H new ATOM 0 HB3 LEU A 102 7.613 14.470 10.925 1.00 23.33 H new ATOM 0 HG LEU A 102 8.235 16.220 9.222 1.00 12.00 H new ATOM 0 HD11 LEU A 102 9.554 15.490 7.275 1.00 60.52 H new ATOM 0 HD12 LEU A 102 10.521 15.482 8.769 1.00 60.52 H new ATOM 0 HD13 LEU A 102 9.909 13.952 8.097 1.00 60.52 H new ATOM 0 HD21 LEU A 102 7.128 15.051 7.356 1.00 51.23 H new ATOM 0 HD22 LEU A 102 7.387 13.496 8.182 1.00 51.23 H new ATOM 0 HD23 LEU A 102 6.324 14.724 8.909 1.00 51.23 H new ATOM 1563 N PRO A 103 9.911 17.321 12.430 1.00 63.13 N ATOM 1564 CA PRO A 103 9.521 18.622 12.981 1.00 25.12 C ATOM 1565 C PRO A 103 9.050 19.591 11.903 1.00 51.15 C ATOM 1566 O PRO A 103 9.504 19.533 10.759 1.00 13.05 O ATOM 1567 CB PRO A 103 10.810 19.132 13.632 1.00 72.21 C ATOM 1568 CG PRO A 103 11.905 18.446 12.891 1.00 4.11 C ATOM 1569 CD PRO A 103 11.365 17.096 12.508 1.00 54.43 C ATOM 0 HA PRO A 103 8.682 18.537 13.672 1.00 25.12 H new ATOM 0 HB2 PRO A 103 10.894 20.216 13.549 1.00 72.21 H new ATOM 0 HB3 PRO A 103 10.839 18.891 14.695 1.00 72.21 H new ATOM 0 HG2 PRO A 103 12.194 19.015 12.008 1.00 4.11 H new ATOM 0 HG3 PRO A 103 12.795 18.348 13.513 1.00 4.11 H new ATOM 0 HD2 PRO A 103 11.771 16.756 11.555 1.00 54.43 H new ATOM 0 HD3 PRO A 103 11.615 16.338 13.250 1.00 54.43 H new ATOM 1577 N LYS A 104 8.137 20.482 12.273 1.00 52.42 N ATOM 1578 CA LYS A 104 7.604 21.466 11.338 1.00 41.42 C ATOM 1579 C LYS A 104 8.148 22.858 11.644 1.00 43.12 C ATOM 1580 O LYS A 104 8.570 23.154 12.762 1.00 64.30 O ATOM 1581 CB LYS A 104 6.075 21.481 11.397 1.00 70.22 C ATOM 1582 CG LYS A 104 5.520 21.398 12.808 1.00 11.22 C ATOM 1583 CD LYS A 104 4.000 21.399 12.811 1.00 44.22 C ATOM 1584 CE LYS A 104 3.445 20.743 14.066 1.00 52.53 C ATOM 1585 NZ LYS A 104 2.895 21.747 15.019 1.00 71.12 N ATOM 0 H LYS A 104 7.750 20.543 13.215 1.00 52.42 H new ATOM 0 HA LYS A 104 7.920 21.184 10.334 1.00 41.42 H new ATOM 0 HB2 LYS A 104 5.711 22.394 10.925 1.00 70.22 H new ATOM 0 HB3 LYS A 104 5.689 20.645 10.814 1.00 70.22 H new ATOM 0 HG2 LYS A 104 5.885 20.491 13.291 1.00 11.22 H new ATOM 0 HG3 LYS A 104 5.886 22.241 13.394 1.00 11.22 H new ATOM 0 HD2 LYS A 104 3.636 22.424 12.743 1.00 44.22 H new ATOM 0 HD3 LYS A 104 3.633 20.871 11.931 1.00 44.22 H new ATOM 0 HE2 LYS A 104 2.662 20.036 13.791 1.00 52.53 H new ATOM 0 HE3 LYS A 104 4.233 20.171 14.556 1.00 52.53 H new ATOM 0 HZ1 LYS A 104 2.294 21.268 15.719 1.00 71.12 H new ATOM 0 HZ2 LYS A 104 3.678 22.228 15.506 1.00 71.12 H new ATOM 0 HZ3 LYS A 104 2.329 22.447 14.498 1.00 71.12 H new ATOM 1599 N PRO A 105 8.138 23.735 10.629 1.00 61.22 N ATOM 1600 CA PRO A 105 7.639 23.394 9.293 1.00 13.04 C ATOM 1601 C PRO A 105 8.552 22.413 8.566 1.00 52.11 C ATOM 1602 O PRO A 105 9.772 22.448 8.728 1.00 52.23 O ATOM 1603 CB PRO A 105 7.616 24.742 8.568 1.00 2.04 C ATOM 1604 CG PRO A 105 8.641 25.566 9.269 1.00 71.12 C ATOM 1605 CD PRO A 105 8.614 25.126 10.706 1.00 11.25 C ATOM 0 HA PRO A 105 6.668 22.900 9.334 1.00 13.04 H new ATOM 0 HB2 PRO A 105 7.856 24.627 7.511 1.00 2.04 H new ATOM 0 HB3 PRO A 105 6.631 25.205 8.623 1.00 2.04 H new ATOM 0 HG2 PRO A 105 9.628 25.414 8.833 1.00 71.12 H new ATOM 0 HG3 PRO A 105 8.414 26.628 9.182 1.00 71.12 H new ATOM 0 HD2 PRO A 105 9.601 25.188 11.164 1.00 11.25 H new ATOM 0 HD3 PRO A 105 7.946 25.747 11.304 1.00 11.25 H new ATOM 1613 N PHE A 106 7.954 21.539 7.764 1.00 73.33 N ATOM 1614 CA PHE A 106 8.714 20.547 7.011 1.00 13.33 C ATOM 1615 C PHE A 106 8.322 20.566 5.537 1.00 50.14 C ATOM 1616 O PHE A 106 7.456 21.338 5.123 1.00 22.41 O ATOM 1617 CB PHE A 106 8.487 19.150 7.593 1.00 14.41 C ATOM 1618 CG PHE A 106 7.071 18.666 7.455 1.00 4.43 C ATOM 1619 CD1 PHE A 106 6.639 18.074 6.280 1.00 43.15 C ATOM 1620 CD2 PHE A 106 6.173 18.803 8.501 1.00 4.25 C ATOM 1621 CE1 PHE A 106 5.337 17.629 6.150 1.00 64.31 C ATOM 1622 CE2 PHE A 106 4.870 18.359 8.378 1.00 43.22 C ATOM 1623 CZ PHE A 106 4.452 17.770 7.201 1.00 42.23 C ATOM 0 H PHE A 106 6.945 21.497 7.618 1.00 73.33 H new ATOM 0 HA PHE A 106 9.772 20.799 7.091 1.00 13.33 H new ATOM 0 HB2 PHE A 106 9.154 18.445 7.096 1.00 14.41 H new ATOM 0 HB3 PHE A 106 8.759 19.156 8.648 1.00 14.41 H new ATOM 0 HD1 PHE A 106 7.327 17.959 5.456 1.00 43.15 H new ATOM 0 HD2 PHE A 106 6.495 19.262 9.424 1.00 4.25 H new ATOM 0 HE1 PHE A 106 5.012 17.171 5.227 1.00 64.31 H new ATOM 0 HE2 PHE A 106 4.180 18.472 9.201 1.00 43.22 H new ATOM 0 HZ PHE A 106 3.435 17.420 7.102 1.00 42.23 H new ATOM 1633 N ASP A 107 8.966 19.712 4.749 1.00 40.21 N ATOM 1634 CA ASP A 107 8.686 19.629 3.320 1.00 13.31 C ATOM 1635 C ASP A 107 7.834 18.404 3.004 1.00 64.34 C ATOM 1636 O ASP A 107 8.329 17.276 3.003 1.00 33.13 O ATOM 1637 CB ASP A 107 9.991 19.578 2.525 1.00 40.33 C ATOM 1638 CG ASP A 107 9.986 20.526 1.342 1.00 54.43 C ATOM 1639 OD1 ASP A 107 8.918 20.686 0.714 1.00 73.03 O ATOM 1640 OD2 ASP A 107 11.049 21.109 1.044 1.00 11.43 O ATOM 0 H ASP A 107 9.686 19.067 5.076 1.00 40.21 H new ATOM 0 HA ASP A 107 8.129 20.520 3.031 1.00 13.31 H new ATOM 0 HB2 ASP A 107 10.824 19.827 3.183 1.00 40.33 H new ATOM 0 HB3 ASP A 107 10.158 18.561 2.171 1.00 40.33 H new ATOM 1645 N ILE A 108 6.553 18.633 2.736 1.00 62.32 N ATOM 1646 CA ILE A 108 5.634 17.547 2.418 1.00 51.21 C ATOM 1647 C ILE A 108 6.199 16.652 1.320 1.00 54.31 C ATOM 1648 O ILE A 108 5.868 15.469 1.238 1.00 42.22 O ATOM 1649 CB ILE A 108 4.261 18.084 1.971 1.00 3.55 C ATOM 1650 CG1 ILE A 108 4.369 18.738 0.592 1.00 2.44 C ATOM 1651 CG2 ILE A 108 3.723 19.075 2.993 1.00 54.12 C ATOM 1652 CD1 ILE A 108 5.157 20.029 0.596 1.00 44.41 C ATOM 0 H ILE A 108 6.128 19.560 2.733 1.00 62.32 H new ATOM 0 HA ILE A 108 5.508 16.964 3.330 1.00 51.21 H new ATOM 0 HB ILE A 108 3.565 17.248 1.902 1.00 3.55 H new ATOM 0 HG12 ILE A 108 4.839 18.037 -0.098 1.00 2.44 H new ATOM 0 HG13 ILE A 108 3.366 18.935 0.213 1.00 2.44 H new ATOM 0 HG21 ILE A 108 2.752 19.446 2.664 1.00 54.12 H new ATOM 0 HG22 ILE A 108 3.614 18.580 3.958 1.00 54.12 H new ATOM 0 HG23 ILE A 108 4.417 19.910 3.090 1.00 54.12 H new ATOM 0 HD11 ILE A 108 5.193 20.437 -0.414 1.00 44.41 H new ATOM 0 HD12 ILE A 108 4.676 20.747 1.260 1.00 44.41 H new ATOM 0 HD13 ILE A 108 6.171 19.835 0.945 1.00 44.41 H new ATOM 1664 N ASP A 109 7.053 17.225 0.479 1.00 21.31 N ATOM 1665 CA ASP A 109 7.667 16.478 -0.613 1.00 40.41 C ATOM 1666 C ASP A 109 8.425 15.265 -0.083 1.00 72.15 C ATOM 1667 O ASP A 109 8.378 14.187 -0.674 1.00 63.43 O ATOM 1668 CB ASP A 109 8.614 17.380 -1.406 1.00 50.23 C ATOM 1669 CG ASP A 109 8.232 17.475 -2.871 1.00 24.25 C ATOM 1670 OD1 ASP A 109 7.910 16.427 -3.469 1.00 33.01 O ATOM 1671 OD2 ASP A 109 8.256 18.597 -3.418 1.00 34.21 O ATOM 0 H ASP A 109 7.336 18.204 0.532 1.00 21.31 H new ATOM 0 HA ASP A 109 6.873 16.128 -1.273 1.00 40.41 H new ATOM 0 HB2 ASP A 109 8.613 18.378 -0.968 1.00 50.23 H new ATOM 0 HB3 ASP A 109 9.631 16.997 -1.323 1.00 50.23 H new ATOM 1676 N GLU A 110 9.122 15.450 1.033 1.00 64.01 N ATOM 1677 CA GLU A 110 9.892 14.370 1.640 1.00 15.21 C ATOM 1678 C GLU A 110 9.020 13.545 2.583 1.00 4.54 C ATOM 1679 O GLU A 110 9.324 12.389 2.874 1.00 25.01 O ATOM 1680 CB GLU A 110 11.093 14.935 2.401 1.00 50.12 C ATOM 1681 CG GLU A 110 12.296 14.007 2.415 1.00 35.54 C ATOM 1682 CD GLU A 110 13.485 14.581 1.671 1.00 61.22 C ATOM 1683 OE1 GLU A 110 14.215 15.404 2.262 1.00 72.22 O ATOM 1684 OE2 GLU A 110 13.686 14.206 0.496 1.00 1.33 O ATOM 0 H GLU A 110 9.170 16.337 1.535 1.00 64.01 H new ATOM 0 HA GLU A 110 10.251 13.720 0.842 1.00 15.21 H new ATOM 0 HB2 GLU A 110 11.383 15.885 1.952 1.00 50.12 H new ATOM 0 HB3 GLU A 110 10.795 15.146 3.428 1.00 50.12 H new ATOM 0 HG2 GLU A 110 12.582 13.804 3.447 1.00 35.54 H new ATOM 0 HG3 GLU A 110 12.019 13.052 1.968 1.00 35.54 H new ATOM 1691 N ALA A 111 7.936 14.150 3.058 1.00 22.23 N ATOM 1692 CA ALA A 111 7.020 13.472 3.967 1.00 1.01 C ATOM 1693 C ALA A 111 6.140 12.477 3.218 1.00 23.44 C ATOM 1694 O ALA A 111 5.853 11.389 3.718 1.00 72.32 O ATOM 1695 CB ALA A 111 6.161 14.488 4.705 1.00 31.11 C ATOM 0 H ALA A 111 7.671 15.108 2.828 1.00 22.23 H new ATOM 0 HA ALA A 111 7.613 12.917 4.694 1.00 1.01 H new ATOM 0 HB1 ALA A 111 5.482 13.968 5.380 1.00 31.11 H new ATOM 0 HB2 ALA A 111 6.802 15.157 5.279 1.00 31.11 H new ATOM 0 HB3 ALA A 111 5.583 15.068 3.985 1.00 31.11 H new ATOM 1701 N VAL A 112 5.715 12.856 2.018 1.00 54.42 N ATOM 1702 CA VAL A 112 4.867 11.997 1.200 1.00 65.32 C ATOM 1703 C VAL A 112 5.472 10.604 1.057 1.00 1.52 C ATOM 1704 O VAL A 112 4.759 9.602 1.076 1.00 73.13 O ATOM 1705 CB VAL A 112 4.648 12.595 -0.202 1.00 51.13 C ATOM 1706 CG1 VAL A 112 3.946 11.594 -1.107 1.00 31.44 C ATOM 1707 CG2 VAL A 112 3.855 13.890 -0.110 1.00 50.02 C ATOM 0 H VAL A 112 5.944 13.753 1.590 1.00 54.42 H new ATOM 0 HA VAL A 112 3.906 11.923 1.709 1.00 65.32 H new ATOM 0 HB VAL A 112 5.621 12.821 -0.637 1.00 51.13 H new ATOM 0 HG11 VAL A 112 3.800 12.035 -2.093 1.00 31.44 H new ATOM 0 HG12 VAL A 112 4.556 10.695 -1.198 1.00 31.44 H new ATOM 0 HG13 VAL A 112 2.978 11.333 -0.679 1.00 31.44 H new ATOM 0 HG21 VAL A 112 3.709 14.299 -1.110 1.00 50.02 H new ATOM 0 HG22 VAL A 112 2.885 13.691 0.346 1.00 50.02 H new ATOM 0 HG23 VAL A 112 4.402 14.609 0.500 1.00 50.02 H new ATOM 1717 N ALA A 113 6.792 10.550 0.915 1.00 5.54 N ATOM 1718 CA ALA A 113 7.494 9.281 0.772 1.00 21.12 C ATOM 1719 C ALA A 113 7.780 8.655 2.133 1.00 5.42 C ATOM 1720 O ALA A 113 7.933 7.439 2.249 1.00 64.41 O ATOM 1721 CB ALA A 113 8.788 9.478 -0.003 1.00 64.32 C ATOM 0 H ALA A 113 7.397 11.371 0.896 1.00 5.54 H new ATOM 0 HA ALA A 113 6.851 8.599 0.216 1.00 21.12 H new ATOM 0 HB1 ALA A 113 9.302 8.522 -0.102 1.00 64.32 H new ATOM 0 HB2 ALA A 113 8.562 9.873 -0.993 1.00 64.32 H new ATOM 0 HB3 ALA A 113 9.428 10.180 0.531 1.00 64.32 H new ATOM 1727 N LEU A 114 7.853 9.494 3.161 1.00 75.10 N ATOM 1728 CA LEU A 114 8.121 9.023 4.515 1.00 24.12 C ATOM 1729 C LEU A 114 6.877 8.389 5.128 1.00 11.15 C ATOM 1730 O LEU A 114 6.973 7.506 5.980 1.00 31.54 O ATOM 1731 CB LEU A 114 8.603 10.180 5.392 1.00 25.33 C ATOM 1732 CG LEU A 114 8.576 9.934 6.901 1.00 4.34 C ATOM 1733 CD1 LEU A 114 9.689 8.981 7.307 1.00 25.22 C ATOM 1734 CD2 LEU A 114 8.696 11.249 7.658 1.00 40.43 C ATOM 0 H LEU A 114 7.730 10.504 3.082 1.00 75.10 H new ATOM 0 HA LEU A 114 8.903 8.265 4.461 1.00 24.12 H new ATOM 0 HB2 LEU A 114 9.624 10.428 5.103 1.00 25.33 H new ATOM 0 HB3 LEU A 114 7.989 11.054 5.175 1.00 25.33 H new ATOM 0 HG LEU A 114 7.621 9.475 7.157 1.00 4.34 H new ATOM 0 HD11 LEU A 114 9.654 8.818 8.384 1.00 25.22 H new ATOM 0 HD12 LEU A 114 9.559 8.029 6.792 1.00 25.22 H new ATOM 0 HD13 LEU A 114 10.653 9.411 7.037 1.00 25.22 H new ATOM 0 HD21 LEU A 114 8.675 11.055 8.730 1.00 40.43 H new ATOM 0 HD22 LEU A 114 9.636 11.735 7.396 1.00 40.43 H new ATOM 0 HD23 LEU A 114 7.864 11.900 7.391 1.00 40.43 H new ATOM 1746 N VAL A 115 5.709 8.845 4.688 1.00 75.11 N ATOM 1747 CA VAL A 115 4.444 8.320 5.191 1.00 45.33 C ATOM 1748 C VAL A 115 4.297 6.838 4.867 1.00 22.24 C ATOM 1749 O VAL A 115 3.882 6.047 5.714 1.00 65.44 O ATOM 1750 CB VAL A 115 3.245 9.085 4.600 1.00 31.11 C ATOM 1751 CG1 VAL A 115 1.936 8.506 5.116 1.00 42.20 C ATOM 1752 CG2 VAL A 115 3.347 10.568 4.925 1.00 75.41 C ATOM 0 H VAL A 115 5.612 9.577 3.984 1.00 75.11 H new ATOM 0 HA VAL A 115 4.453 8.453 6.273 1.00 45.33 H new ATOM 0 HB VAL A 115 3.262 8.972 3.516 1.00 31.11 H new ATOM 0 HG11 VAL A 115 1.100 9.059 4.688 1.00 42.20 H new ATOM 0 HG12 VAL A 115 1.863 7.457 4.828 1.00 42.20 H new ATOM 0 HG13 VAL A 115 1.906 8.586 6.203 1.00 42.20 H new ATOM 0 HG21 VAL A 115 2.492 11.093 4.500 1.00 75.41 H new ATOM 0 HG22 VAL A 115 3.355 10.704 6.006 1.00 75.41 H new ATOM 0 HG23 VAL A 115 4.267 10.971 4.502 1.00 75.41 H new ATOM 1762 N GLU A 116 4.641 6.469 3.637 1.00 35.12 N ATOM 1763 CA GLU A 116 4.546 5.080 3.202 1.00 11.34 C ATOM 1764 C GLU A 116 5.781 4.291 3.628 1.00 11.52 C ATOM 1765 O GLU A 116 5.754 3.062 3.691 1.00 41.30 O ATOM 1766 CB GLU A 116 4.380 5.009 1.683 1.00 64.41 C ATOM 1767 CG GLU A 116 5.445 5.776 0.918 1.00 64.13 C ATOM 1768 CD GLU A 116 5.846 5.088 -0.373 1.00 10.11 C ATOM 1769 OE1 GLU A 116 6.107 3.867 -0.337 1.00 44.34 O ATOM 1770 OE2 GLU A 116 5.898 5.770 -1.418 1.00 23.23 O ATOM 0 H GLU A 116 4.988 7.112 2.925 1.00 35.12 H new ATOM 0 HA GLU A 116 3.671 4.636 3.677 1.00 11.34 H new ATOM 0 HB2 GLU A 116 4.402 3.965 1.372 1.00 64.41 H new ATOM 0 HB3 GLU A 116 3.399 5.401 1.414 1.00 64.41 H new ATOM 0 HG2 GLU A 116 5.075 6.776 0.693 1.00 64.13 H new ATOM 0 HG3 GLU A 116 6.325 5.896 1.550 1.00 64.13 H new ATOM 1777 N ARG A 117 6.862 5.008 3.919 1.00 31.31 N ATOM 1778 CA ARG A 117 8.107 4.376 4.337 1.00 24.41 C ATOM 1779 C ARG A 117 7.849 3.324 5.412 1.00 62.42 C ATOM 1780 O ARG A 117 8.399 2.224 5.362 1.00 30.34 O ATOM 1781 CB ARG A 117 9.087 5.427 4.862 1.00 15.15 C ATOM 1782 CG ARG A 117 10.343 5.564 4.019 1.00 44.42 C ATOM 1783 CD ARG A 117 11.599 5.470 4.871 1.00 43.10 C ATOM 1784 NE ARG A 117 12.771 6.003 4.180 1.00 14.24 N ATOM 1785 CZ ARG A 117 14.011 5.886 4.640 1.00 3.23 C ATOM 1786 NH1 ARG A 117 14.241 5.258 5.785 1.00 61.21 N ATOM 1787 NH2 ARG A 117 15.025 6.398 3.954 1.00 24.14 N ATOM 0 H ARG A 117 6.900 6.026 3.873 1.00 31.31 H new ATOM 0 HA ARG A 117 8.544 3.884 3.468 1.00 24.41 H new ATOM 0 HB2 ARG A 117 8.582 6.392 4.906 1.00 15.15 H new ATOM 0 HB3 ARG A 117 9.371 5.169 5.882 1.00 15.15 H new ATOM 0 HG2 ARG A 117 10.359 4.783 3.258 1.00 44.42 H new ATOM 0 HG3 ARG A 117 10.328 6.520 3.495 1.00 44.42 H new ATOM 0 HD2 ARG A 117 11.447 6.017 5.802 1.00 43.10 H new ATOM 0 HD3 ARG A 117 11.778 4.429 5.139 1.00 43.10 H new ATOM 0 HE ARG A 117 12.629 6.492 3.296 1.00 14.24 H new ATOM 0 HH11 ARG A 117 13.464 4.863 6.315 1.00 61.21 H new ATOM 0 HH12 ARG A 117 15.195 5.170 6.136 1.00 61.21 H new ATOM 0 HH21 ARG A 117 14.852 6.882 3.073 1.00 24.14 H new ATOM 0 HH22 ARG A 117 15.977 6.308 4.308 1.00 24.14 H new ATOM 1801 N ALA A 118 7.010 3.670 6.382 1.00 33.00 N ATOM 1802 CA ALA A 118 6.678 2.756 7.467 1.00 34.45 C ATOM 1803 C ALA A 118 5.547 1.814 7.066 1.00 64.03 C ATOM 1804 O ALA A 118 5.585 0.620 7.366 1.00 45.35 O ATOM 1805 CB ALA A 118 6.298 3.536 8.717 1.00 30.24 C ATOM 0 H ALA A 118 6.548 4.577 6.439 1.00 33.00 H new ATOM 0 HA ALA A 118 7.560 2.152 7.682 1.00 34.45 H new ATOM 0 HB1 ALA A 118 6.052 2.840 9.519 1.00 30.24 H new ATOM 0 HB2 ALA A 118 7.136 4.162 9.024 1.00 30.24 H new ATOM 0 HB3 ALA A 118 5.433 4.165 8.505 1.00 30.24 H new ATOM 1811 N ILE A 119 4.543 2.358 6.387 1.00 42.30 N ATOM 1812 CA ILE A 119 3.403 1.566 5.944 1.00 33.13 C ATOM 1813 C ILE A 119 3.857 0.328 5.178 1.00 4.23 C ATOM 1814 O ILE A 119 3.438 -0.789 5.479 1.00 25.43 O ATOM 1815 CB ILE A 119 2.457 2.390 5.051 1.00 42.22 C ATOM 1816 CG1 ILE A 119 1.962 3.629 5.801 1.00 60.43 C ATOM 1817 CG2 ILE A 119 1.284 1.537 4.593 1.00 53.23 C ATOM 1818 CD1 ILE A 119 1.297 4.651 4.906 1.00 45.30 C ATOM 0 H ILE A 119 4.496 3.344 6.132 1.00 42.30 H new ATOM 0 HA ILE A 119 2.866 1.258 6.841 1.00 33.13 H new ATOM 0 HB ILE A 119 3.008 2.718 4.170 1.00 42.22 H new ATOM 0 HG12 ILE A 119 1.257 3.319 6.572 1.00 60.43 H new ATOM 0 HG13 ILE A 119 2.805 4.097 6.310 1.00 60.43 H new ATOM 0 HG21 ILE A 119 0.624 2.134 3.963 1.00 53.23 H new ATOM 0 HG22 ILE A 119 1.655 0.684 4.025 1.00 53.23 H new ATOM 0 HG23 ILE A 119 0.731 1.182 5.463 1.00 53.23 H new ATOM 0 HD11 ILE A 119 0.971 5.502 5.505 1.00 45.30 H new ATOM 0 HD12 ILE A 119 2.006 4.989 4.150 1.00 45.30 H new ATOM 0 HD13 ILE A 119 0.434 4.200 4.417 1.00 45.30 H new ATOM 1830 N SER A 120 4.719 0.536 4.187 1.00 32.55 N ATOM 1831 CA SER A 120 5.230 -0.563 3.376 1.00 33.33 C ATOM 1832 C SER A 120 5.866 -1.636 4.254 1.00 23.44 C ATOM 1833 O SER A 120 5.762 -2.830 3.970 1.00 30.00 O ATOM 1834 CB SER A 120 6.252 -0.045 2.363 1.00 10.21 C ATOM 1835 OG SER A 120 5.821 1.173 1.781 1.00 14.10 O ATOM 0 H SER A 120 5.078 1.455 3.927 1.00 32.55 H new ATOM 0 HA SER A 120 4.391 -1.007 2.840 1.00 33.33 H new ATOM 0 HB2 SER A 120 7.213 0.104 2.855 1.00 10.21 H new ATOM 0 HB3 SER A 120 6.405 -0.790 1.583 1.00 10.21 H new ATOM 0 HG SER A 120 6.030 1.916 2.385 1.00 14.10 H new ATOM 1841 N HIS A 121 6.526 -1.202 5.323 1.00 24.55 N ATOM 1842 CA HIS A 121 7.180 -2.125 6.245 1.00 62.12 C ATOM 1843 C HIS A 121 6.185 -3.146 6.789 1.00 43.22 C ATOM 1844 O HIS A 121 6.562 -4.258 7.160 1.00 10.43 O ATOM 1845 CB HIS A 121 7.823 -1.356 7.400 1.00 73.14 C ATOM 1846 CG HIS A 121 8.803 -2.169 8.189 1.00 55.13 C ATOM 1847 ND1 HIS A 121 10.154 -2.193 7.915 1.00 53.33 N ATOM 1848 CD2 HIS A 121 8.621 -2.989 9.250 1.00 12.43 C ATOM 1849 CE1 HIS A 121 10.761 -2.993 8.773 1.00 74.44 C ATOM 1850 NE2 HIS A 121 9.853 -3.489 9.594 1.00 13.31 N ATOM 0 H HIS A 121 6.622 -0.218 5.572 1.00 24.55 H new ATOM 0 HA HIS A 121 7.957 -2.658 5.697 1.00 62.12 H new ATOM 0 HB2 HIS A 121 8.330 -0.477 7.003 1.00 73.14 H new ATOM 0 HB3 HIS A 121 7.040 -0.998 8.068 1.00 73.14 H new ATOM 0 HD2 HIS A 121 7.682 -3.209 9.736 1.00 12.43 H new ATOM 0 HE1 HIS A 121 11.820 -3.205 8.799 1.00 74.44 H new ATOM 0 HE2 HIS A 121 10.037 -4.138 10.359 1.00 13.31 H new ATOM 1858 N TYR A 122 4.915 -2.761 6.833 1.00 11.54 N ATOM 1859 CA TYR A 122 3.866 -3.641 7.335 1.00 4.11 C ATOM 1860 C TYR A 122 2.872 -3.988 6.231 1.00 0.13 C ATOM 1861 O TYR A 122 1.698 -4.245 6.497 1.00 3.25 O ATOM 1862 CB TYR A 122 3.136 -2.982 8.507 1.00 73.35 C ATOM 1863 CG TYR A 122 4.063 -2.355 9.523 1.00 71.02 C ATOM 1864 CD1 TYR A 122 4.636 -3.117 10.533 1.00 11.04 C ATOM 1865 CD2 TYR A 122 4.367 -1.000 9.472 1.00 74.03 C ATOM 1866 CE1 TYR A 122 5.483 -2.548 11.464 1.00 11.44 C ATOM 1867 CE2 TYR A 122 5.214 -0.422 10.398 1.00 73.43 C ATOM 1868 CZ TYR A 122 5.769 -1.200 11.392 1.00 31.23 C ATOM 1869 OH TYR A 122 6.613 -0.630 12.317 1.00 42.40 O ATOM 0 H TYR A 122 4.586 -1.845 6.527 1.00 11.54 H new ATOM 0 HA TYR A 122 4.334 -4.563 7.680 1.00 4.11 H new ATOM 0 HB2 TYR A 122 2.463 -2.216 8.121 1.00 73.35 H new ATOM 0 HB3 TYR A 122 2.517 -3.729 9.005 1.00 73.35 H new ATOM 0 HD1 TYR A 122 4.415 -4.173 10.591 1.00 11.04 H new ATOM 0 HD2 TYR A 122 3.934 -0.388 8.695 1.00 74.03 H new ATOM 0 HE1 TYR A 122 5.919 -3.155 12.244 1.00 11.44 H new ATOM 0 HE2 TYR A 122 5.440 0.633 10.344 1.00 73.43 H new ATOM 0 HH TYR A 122 6.711 0.326 12.125 1.00 42.40 H new ATOM 1879 N GLN A 123 3.352 -3.994 4.992 1.00 40.41 N ATOM 1880 CA GLN A 123 2.506 -4.309 3.847 1.00 31.00 C ATOM 1881 C GLN A 123 1.866 -5.684 4.006 1.00 75.02 C ATOM 1882 O GLN A 123 2.393 -6.547 4.706 1.00 22.13 O ATOM 1883 CB GLN A 123 3.322 -4.260 2.554 1.00 12.51 C ATOM 1884 CG GLN A 123 4.471 -5.254 2.521 1.00 20.14 C ATOM 1885 CD GLN A 123 5.405 -5.028 1.349 1.00 60.41 C ATOM 1886 OE1 GLN A 123 4.974 -4.983 0.196 1.00 34.15 O ATOM 1887 NE2 GLN A 123 6.693 -4.885 1.637 1.00 64.10 N ATOM 0 H GLN A 123 4.322 -3.784 4.755 1.00 40.41 H new ATOM 0 HA GLN A 123 1.713 -3.562 3.796 1.00 31.00 H new ATOM 0 HB2 GLN A 123 2.661 -4.454 1.709 1.00 12.51 H new ATOM 0 HB3 GLN A 123 3.720 -3.254 2.423 1.00 12.51 H new ATOM 0 HG2 GLN A 123 5.036 -5.181 3.450 1.00 20.14 H new ATOM 0 HG3 GLN A 123 4.069 -6.266 2.471 1.00 20.14 H new ATOM 0 HE21 GLN A 123 7.007 -4.929 2.607 1.00 64.10 H new ATOM 0 HE22 GLN A 123 7.369 -4.731 0.889 1.00 64.10 H new ATOM 1896 N GLU A 124 0.725 -5.880 3.351 1.00 44.32 N ATOM 1897 CA GLU A 124 0.013 -7.150 3.421 1.00 21.12 C ATOM 1898 C GLU A 124 -0.123 -7.775 2.036 1.00 64.23 C ATOM 1899 O GLU A 124 -0.343 -7.076 1.048 1.00 44.25 O ATOM 1900 CB GLU A 124 -1.372 -6.950 4.040 1.00 22.13 C ATOM 1901 CG GLU A 124 -1.398 -7.142 5.547 1.00 33.33 C ATOM 1902 CD GLU A 124 -1.476 -8.603 5.948 1.00 54.30 C ATOM 1903 OE1 GLU A 124 -1.639 -9.456 5.050 1.00 10.41 O ATOM 1904 OE2 GLU A 124 -1.375 -8.893 7.158 1.00 14.32 O ATOM 0 H GLU A 124 0.275 -5.176 2.767 1.00 44.32 H new ATOM 0 HA GLU A 124 0.591 -7.827 4.051 1.00 21.12 H new ATOM 0 HB2 GLU A 124 -1.725 -5.946 3.804 1.00 22.13 H new ATOM 0 HB3 GLU A 124 -2.070 -7.650 3.581 1.00 22.13 H new ATOM 0 HG2 GLU A 124 -0.503 -6.697 5.982 1.00 33.33 H new ATOM 0 HG3 GLU A 124 -2.253 -6.609 5.963 1.00 33.33 H new TER 1911 GLU A 124