USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot -75:sc= 0.00162 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.739 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 44:sc= 0.636 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.537 USER MOD Single : A 12 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.1!) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -2.65! F(o=-3.3,f=-2.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.505 USER MOD Single : A 19 MET CE :methyl 161:sc= -0.0368 (180deg=-0.42) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -7:sc= 0.353 USER MOD Single : A 22 LYS NZ :NH3+ -109:sc= -0.885 (180deg=-2.93!) USER MOD Single : A 23 ASN : amide:sc= -3.24! C(o=-3.2!,f=-3.7!) USER MOD Single : A 27 TYR OH : rot 80:sc= -1.57 USER MOD Single : A 29 CYS SG : rot 160:sc= 1.1 USER MOD Single : A 32 SER OG : rot 43:sc= 0.574 USER MOD Single : A 35 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -1.37 F(o=-3.2,f=-1.4) USER MOD Single : A 40 THR OG1 : rot 39:sc= 0.449 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 52 CYS SG : rot -115:sc= -3.25 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -120:sc= -0.96 USER MOD Single : A 58 SER OG : rot 120:sc= -0.764 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.47! C(o=-7.5!,f=-8!) USER MOD Single : A 72 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.39) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.444 12.357 -4.616 1.00 0.00 N ATOM 2 CA GLY A 1 -26.303 12.756 -5.419 1.00 0.00 C ATOM 3 C GLY A 1 -26.567 12.627 -6.906 1.00 0.00 C ATOM 4 O GLY A 1 -26.536 13.618 -7.636 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.213 12.463 -3.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.260 12.958 -4.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.678 11.363 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.043 13.789 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.442 12.143 -5.151 1.00 0.00 H new ATOM 8 N SER A 2 -26.825 11.404 -7.356 1.00 0.00 N ATOM 9 CA SER A 2 -27.090 11.148 -8.767 1.00 0.00 C ATOM 10 C SER A 2 -27.887 9.860 -8.946 1.00 0.00 C ATOM 11 O SER A 2 -28.172 9.154 -7.979 1.00 0.00 O ATOM 12 CB SER A 2 -25.776 11.061 -9.547 1.00 0.00 C ATOM 13 OG SER A 2 -25.102 9.844 -9.275 1.00 0.00 O ATOM 0 H SER A 2 -26.856 10.574 -6.764 1.00 0.00 H new ATOM 0 HA SER A 2 -27.681 11.977 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.978 11.138 -10.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.136 11.902 -9.282 1.00 0.00 H new ATOM 0 HG SER A 2 -24.267 9.811 -9.786 1.00 0.00 H new ATOM 19 N SER A 3 -28.245 9.561 -10.191 1.00 0.00 N ATOM 20 CA SER A 3 -29.013 8.360 -10.497 1.00 0.00 C ATOM 21 C SER A 3 -28.113 7.128 -10.511 1.00 0.00 C ATOM 22 O SER A 3 -27.403 6.875 -11.483 1.00 0.00 O ATOM 23 CB SER A 3 -29.714 8.508 -11.849 1.00 0.00 C ATOM 24 OG SER A 3 -28.781 8.785 -12.879 1.00 0.00 O ATOM 0 H SER A 3 -28.016 10.134 -11.003 1.00 0.00 H new ATOM 0 HA SER A 3 -29.764 8.231 -9.718 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.257 7.592 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.450 9.310 -11.795 1.00 0.00 H new ATOM 0 HG SER A 3 -27.998 8.205 -12.776 1.00 0.00 H new ATOM 30 N GLY A 4 -28.149 6.365 -9.423 1.00 0.00 N ATOM 31 CA GLY A 4 -27.332 5.168 -9.328 1.00 0.00 C ATOM 32 C GLY A 4 -27.124 4.720 -7.896 1.00 0.00 C ATOM 33 O GLY A 4 -28.025 4.834 -7.065 1.00 0.00 O ATOM 0 H GLY A 4 -28.729 6.554 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.805 4.364 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.363 5.355 -9.791 1.00 0.00 H new ATOM 37 N SER A 5 -25.933 4.207 -7.605 1.00 0.00 N ATOM 38 CA SER A 5 -25.611 3.734 -6.264 1.00 0.00 C ATOM 39 C SER A 5 -24.852 4.800 -5.480 1.00 0.00 C ATOM 40 O SER A 5 -24.060 5.555 -6.043 1.00 0.00 O ATOM 41 CB SER A 5 -24.780 2.451 -6.338 1.00 0.00 C ATOM 42 OG SER A 5 -25.602 1.325 -6.588 1.00 0.00 O ATOM 0 H SER A 5 -25.175 4.108 -8.280 1.00 0.00 H new ATOM 0 HA SER A 5 -26.546 3.523 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.033 2.543 -7.127 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.239 2.310 -5.402 1.00 0.00 H new ATOM 0 HG SER A 5 -25.047 0.518 -6.632 1.00 0.00 H new ATOM 48 N SER A 6 -25.101 4.856 -4.175 1.00 0.00 N ATOM 49 CA SER A 6 -24.446 5.832 -3.313 1.00 0.00 C ATOM 50 C SER A 6 -22.950 5.550 -3.213 1.00 0.00 C ATOM 51 O SER A 6 -22.489 4.456 -3.538 1.00 0.00 O ATOM 52 CB SER A 6 -25.073 5.814 -1.917 1.00 0.00 C ATOM 53 OG SER A 6 -24.699 4.648 -1.204 1.00 0.00 O ATOM 0 H SER A 6 -25.752 4.237 -3.692 1.00 0.00 H new ATOM 0 HA SER A 6 -24.585 6.819 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.760 6.699 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.159 5.859 -2.002 1.00 0.00 H new ATOM 0 HG SER A 6 -25.111 4.662 -0.315 1.00 0.00 H new ATOM 59 N GLY A 7 -22.195 6.547 -2.761 1.00 0.00 N ATOM 60 CA GLY A 7 -20.758 6.388 -2.626 1.00 0.00 C ATOM 61 C GLY A 7 -20.094 5.996 -3.931 1.00 0.00 C ATOM 62 O GLY A 7 -20.006 4.813 -4.261 1.00 0.00 O ATOM 0 H GLY A 7 -22.553 7.462 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.324 7.321 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.549 5.629 -1.873 1.00 0.00 H new ATOM 66 N LYS A 8 -19.625 6.991 -4.676 1.00 0.00 N ATOM 67 CA LYS A 8 -18.965 6.745 -5.953 1.00 0.00 C ATOM 68 C LYS A 8 -17.486 6.435 -5.750 1.00 0.00 C ATOM 69 O LYS A 8 -16.823 7.040 -4.907 1.00 0.00 O ATOM 70 CB LYS A 8 -19.121 7.959 -6.872 1.00 0.00 C ATOM 71 CG LYS A 8 -20.512 8.099 -7.465 1.00 0.00 C ATOM 72 CD LYS A 8 -20.654 7.300 -8.750 1.00 0.00 C ATOM 73 CE LYS A 8 -21.925 7.670 -9.499 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.768 8.936 -10.266 1.00 0.00 N ATOM 0 H LYS A 8 -19.690 7.976 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.439 5.881 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.882 8.862 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.396 7.886 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.253 7.760 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.719 9.150 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.789 7.479 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.664 6.235 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.193 6.863 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.747 7.774 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.650 9.145 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.554 9.715 -9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.990 8.834 -10.948 1.00 0.00 H new ATOM 88 N THR A 9 -16.972 5.487 -6.529 1.00 0.00 N ATOM 89 CA THR A 9 -15.571 5.096 -6.434 1.00 0.00 C ATOM 90 C THR A 9 -14.656 6.201 -6.951 1.00 0.00 C ATOM 91 O THR A 9 -15.043 7.022 -7.783 1.00 0.00 O ATOM 92 CB THR A 9 -15.294 3.804 -7.225 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.910 4.124 -8.567 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.523 2.907 -7.245 1.00 0.00 C ATOM 0 H THR A 9 -17.506 4.976 -7.232 1.00 0.00 H new ATOM 0 HA THR A 9 -15.363 4.919 -5.379 1.00 0.00 H new ATOM 0 HB THR A 9 -14.482 3.270 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.734 3.297 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.303 2.001 -7.809 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.796 2.641 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.352 3.436 -7.716 1.00 0.00 H new ATOM 102 N PRO A 10 -13.413 6.224 -6.448 1.00 0.00 N ATOM 103 CA PRO A 10 -12.417 7.223 -6.846 1.00 0.00 C ATOM 104 C PRO A 10 -11.938 7.025 -8.280 1.00 0.00 C ATOM 105 O PRO A 10 -11.254 7.882 -8.840 1.00 0.00 O ATOM 106 CB PRO A 10 -11.268 6.989 -5.862 1.00 0.00 C ATOM 107 CG PRO A 10 -11.409 5.565 -5.446 1.00 0.00 C ATOM 108 CD PRO A 10 -12.884 5.276 -5.453 1.00 0.00 C ATOM 0 HA PRO A 10 -12.821 8.235 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.301 7.170 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.337 7.660 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.879 4.904 -6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.984 5.404 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.090 4.243 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.329 5.434 -4.471 1.00 0.00 H new ATOM 116 N ILE A 11 -12.303 5.891 -8.870 1.00 0.00 N ATOM 117 CA ILE A 11 -11.912 5.583 -10.239 1.00 0.00 C ATOM 118 C ILE A 11 -12.986 6.020 -11.230 1.00 0.00 C ATOM 119 O ILE A 11 -12.680 6.453 -12.340 1.00 0.00 O ATOM 120 CB ILE A 11 -11.643 4.077 -10.423 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.587 3.601 -9.423 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.199 3.789 -11.849 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.202 4.140 -9.704 1.00 0.00 C ATOM 0 H ILE A 11 -12.869 5.171 -8.421 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.993 6.135 -10.436 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.567 3.531 -10.235 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.888 3.901 -8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.553 2.512 -9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.013 2.721 -11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.981 4.097 -12.543 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.285 4.342 -12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.506 3.761 -8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.881 3.819 -10.695 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.220 5.229 -9.664 1.00 0.00 H new ATOM 135 N GLN A 12 -14.244 5.905 -10.818 1.00 0.00 N ATOM 136 CA GLN A 12 -15.364 6.290 -11.669 1.00 0.00 C ATOM 137 C GLN A 12 -15.553 7.803 -11.668 1.00 0.00 C ATOM 138 O GLN A 12 -15.862 8.401 -12.699 1.00 0.00 O ATOM 139 CB GLN A 12 -16.648 5.603 -11.200 1.00 0.00 C ATOM 140 CG GLN A 12 -16.782 4.168 -11.684 1.00 0.00 C ATOM 141 CD GLN A 12 -16.318 3.990 -13.116 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.999 4.398 -14.057 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.153 3.376 -13.288 1.00 0.00 N ATOM 0 H GLN A 12 -14.513 5.549 -9.901 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.141 5.971 -12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.679 5.615 -10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.506 6.177 -11.550 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.201 3.514 -11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.823 3.857 -11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.622 3.054 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.789 3.226 -14.229 1.00 0.00 H new ATOM 152 N VAL A 13 -15.367 8.418 -10.504 1.00 0.00 N ATOM 153 CA VAL A 13 -15.516 9.862 -10.369 1.00 0.00 C ATOM 154 C VAL A 13 -14.434 10.601 -11.147 1.00 0.00 C ATOM 155 O VAL A 13 -14.720 11.297 -12.123 1.00 0.00 O ATOM 156 CB VAL A 13 -15.460 10.296 -8.893 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.669 11.798 -8.770 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.494 9.537 -8.075 1.00 0.00 C ATOM 0 H VAL A 13 -15.113 7.938 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.493 10.119 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.472 10.057 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.626 12.087 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.888 12.320 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.643 12.065 -9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.440 9.856 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.490 9.743 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.293 8.467 -8.137 1.00 0.00 H new ATOM 168 N LEU A 14 -13.189 10.447 -10.709 1.00 0.00 N ATOM 169 CA LEU A 14 -12.061 11.100 -11.365 1.00 0.00 C ATOM 170 C LEU A 14 -12.203 11.039 -12.882 1.00 0.00 C ATOM 171 O LEU A 14 -12.319 12.069 -13.547 1.00 0.00 O ATOM 172 CB LEU A 14 -10.747 10.443 -10.938 1.00 0.00 C ATOM 173 CG LEU A 14 -9.515 11.348 -10.931 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.242 10.517 -10.888 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.517 12.261 -12.148 1.00 0.00 C ATOM 0 H LEU A 14 -12.935 9.876 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.053 12.147 -11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.878 10.033 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.551 9.602 -11.603 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.549 11.969 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.376 11.178 -10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.237 9.906 -9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.200 9.870 -11.764 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.633 12.898 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.507 11.657 -13.056 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.412 12.883 -12.135 1.00 0.00 H new ATOM 187 N HIS A 15 -12.197 9.825 -13.424 1.00 0.00 N ATOM 188 CA HIS A 15 -12.328 9.630 -14.864 1.00 0.00 C ATOM 189 C HIS A 15 -13.552 10.364 -15.402 1.00 0.00 C ATOM 190 O HIS A 15 -13.426 11.360 -16.115 1.00 0.00 O ATOM 191 CB HIS A 15 -12.428 8.140 -15.191 1.00 0.00 C ATOM 192 CG HIS A 15 -12.316 7.839 -16.653 1.00 0.00 C ATOM 193 ND1 HIS A 15 -13.184 7.242 -17.504 1.00 0.00 N flip ATOM 194 CD2 HIS A 15 -11.205 8.158 -17.405 1.00 0.00 C flip ATOM 195 CE1 HIS A 15 -12.588 7.213 -18.740 1.00 0.00 C flip ATOM 196 NE2 HIS A 15 -11.394 7.772 -18.654 1.00 0.00 N flip ATOM 0 H HIS A 15 -12.103 8.962 -12.888 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.440 10.041 -15.344 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.642 7.606 -14.657 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.380 7.759 -14.822 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.109 6.881 -17.270 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.318 8.647 -17.031 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.024 6.800 -19.638 1.00 0.00 H new ATOM 204 N GLU A 16 -14.735 9.866 -15.057 1.00 0.00 N ATOM 205 CA GLU A 16 -15.981 10.474 -15.508 1.00 0.00 C ATOM 206 C GLU A 16 -15.863 11.995 -15.541 1.00 0.00 C ATOM 207 O GLU A 16 -16.296 12.641 -16.495 1.00 0.00 O ATOM 208 CB GLU A 16 -17.136 10.062 -14.593 1.00 0.00 C ATOM 209 CG GLU A 16 -17.592 8.627 -14.797 1.00 0.00 C ATOM 210 CD GLU A 16 -16.451 7.699 -15.168 1.00 0.00 C ATOM 211 OE1 GLU A 16 -15.783 7.959 -16.190 1.00 0.00 O ATOM 212 OE2 GLU A 16 -16.226 6.714 -14.434 1.00 0.00 O ATOM 0 H GLU A 16 -14.857 9.043 -14.467 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.183 10.120 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.831 10.193 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.980 10.730 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.066 8.267 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.348 8.598 -15.581 1.00 0.00 H new ATOM 219 N TYR A 17 -15.273 12.560 -14.494 1.00 0.00 N ATOM 220 CA TYR A 17 -15.100 14.005 -14.401 1.00 0.00 C ATOM 221 C TYR A 17 -14.155 14.511 -15.486 1.00 0.00 C ATOM 222 O TYR A 17 -14.481 15.437 -16.227 1.00 0.00 O ATOM 223 CB TYR A 17 -14.562 14.387 -13.021 1.00 0.00 C ATOM 224 CG TYR A 17 -13.807 15.698 -13.008 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.476 16.906 -12.859 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.424 15.727 -13.143 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.791 18.105 -12.847 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.731 16.921 -13.131 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.418 18.108 -12.983 1.00 0.00 C ATOM 230 OH TYR A 17 -11.732 19.300 -12.970 1.00 0.00 O ATOM 0 H TYR A 17 -14.906 12.039 -13.697 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.074 14.473 -14.546 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.394 14.450 -12.320 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.904 13.595 -12.664 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.551 16.908 -12.751 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.882 14.800 -13.259 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.327 19.035 -12.732 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.656 16.926 -13.237 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.773 19.127 -13.076 1.00 0.00 H new ATOM 240 N GLY A 18 -12.980 13.894 -15.574 1.00 0.00 N ATOM 241 CA GLY A 18 -12.004 14.294 -16.571 1.00 0.00 C ATOM 242 C GLY A 18 -12.651 14.749 -17.864 1.00 0.00 C ATOM 243 O GLY A 18 -12.341 15.825 -18.375 1.00 0.00 O ATOM 0 H GLY A 18 -12.687 13.124 -14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.391 15.101 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.336 13.458 -16.777 1.00 0.00 H new ATOM 247 N MET A 19 -13.550 13.928 -18.396 1.00 0.00 N ATOM 248 CA MET A 19 -14.241 14.253 -19.638 1.00 0.00 C ATOM 249 C MET A 19 -14.747 15.692 -19.619 1.00 0.00 C ATOM 250 O MET A 19 -14.504 16.458 -20.552 1.00 0.00 O ATOM 251 CB MET A 19 -15.411 13.292 -19.862 1.00 0.00 C ATOM 252 CG MET A 19 -14.984 11.842 -20.024 1.00 0.00 C ATOM 253 SD MET A 19 -16.382 10.728 -20.261 1.00 0.00 S ATOM 254 CE MET A 19 -15.770 9.244 -19.467 1.00 0.00 C ATOM 0 H MET A 19 -13.817 13.033 -17.986 1.00 0.00 H new ATOM 0 HA MET A 19 -13.531 14.147 -20.458 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.099 13.368 -19.020 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.960 13.602 -20.751 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.310 11.759 -20.876 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.423 11.532 -19.142 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.607 8.588 -19.228 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.085 8.728 -20.139 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.245 9.512 -18.550 1.00 0.00 H new ATOM 264 N LYS A 20 -15.451 16.053 -18.552 1.00 0.00 N ATOM 265 CA LYS A 20 -15.990 17.400 -18.410 1.00 0.00 C ATOM 266 C LYS A 20 -14.942 18.446 -18.776 1.00 0.00 C ATOM 267 O LYS A 20 -15.196 19.336 -19.590 1.00 0.00 O ATOM 268 CB LYS A 20 -16.476 17.629 -16.977 1.00 0.00 C ATOM 269 CG LYS A 20 -17.768 16.902 -16.649 1.00 0.00 C ATOM 270 CD LYS A 20 -18.631 17.703 -15.688 1.00 0.00 C ATOM 271 CE LYS A 20 -17.938 17.898 -14.348 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.646 18.895 -13.499 1.00 0.00 N ATOM 0 H LYS A 20 -15.662 15.431 -17.772 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.833 17.501 -19.093 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.700 17.305 -16.283 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.620 18.698 -16.818 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.324 16.714 -17.568 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.539 15.931 -16.210 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.859 18.675 -16.126 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.581 17.190 -15.537 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.887 16.944 -13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.912 18.225 -14.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.143 19.000 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.672 19.812 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.618 18.570 -13.319 1.00 0.00 H new ATOM 286 N THR A 21 -13.764 18.334 -18.172 1.00 0.00 N ATOM 287 CA THR A 21 -12.678 19.270 -18.435 1.00 0.00 C ATOM 288 C THR A 21 -11.834 18.814 -19.620 1.00 0.00 C ATOM 289 O THR A 21 -10.623 19.033 -19.654 1.00 0.00 O ATOM 290 CB THR A 21 -11.767 19.434 -17.204 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.179 18.175 -16.858 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.552 19.976 -16.019 1.00 0.00 C ATOM 0 H THR A 21 -13.537 17.604 -17.497 1.00 0.00 H new ATOM 0 HA THR A 21 -13.138 20.230 -18.668 1.00 0.00 H new ATOM 0 HB THR A 21 -10.980 20.145 -17.454 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.578 17.466 -17.405 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.888 20.084 -15.161 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.974 20.948 -16.276 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.358 19.285 -15.770 1.00 0.00 H new ATOM 300 N LYS A 22 -12.481 18.180 -20.592 1.00 0.00 N ATOM 301 CA LYS A 22 -11.791 17.694 -21.781 1.00 0.00 C ATOM 302 C LYS A 22 -10.416 17.138 -21.423 1.00 0.00 C ATOM 303 O LYS A 22 -9.500 17.147 -22.245 1.00 0.00 O ATOM 304 CB LYS A 22 -11.646 18.820 -22.807 1.00 0.00 C ATOM 305 CG LYS A 22 -12.890 19.680 -22.946 1.00 0.00 C ATOM 306 CD LYS A 22 -13.994 18.948 -23.691 1.00 0.00 C ATOM 307 CE LYS A 22 -13.706 18.875 -25.183 1.00 0.00 C ATOM 308 NZ LYS A 22 -12.889 17.680 -25.532 1.00 0.00 N ATOM 0 H LYS A 22 -13.483 17.991 -20.580 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.387 16.891 -22.214 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.806 19.454 -22.522 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.404 18.387 -23.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.246 19.968 -21.957 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.640 20.600 -23.475 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.099 17.940 -23.290 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.944 19.457 -23.527 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.646 18.845 -25.733 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.182 19.778 -25.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.929 17.981 -25.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.840 17.042 -24.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.327 17.182 -26.333 1.00 0.00 H new ATOM 322 N ASN A 23 -10.280 16.655 -20.193 1.00 0.00 N ATOM 323 CA ASN A 23 -9.016 16.094 -19.727 1.00 0.00 C ATOM 324 C ASN A 23 -9.243 14.774 -18.997 1.00 0.00 C ATOM 325 O ASN A 23 -9.824 14.746 -17.911 1.00 0.00 O ATOM 326 CB ASN A 23 -8.304 17.085 -18.804 1.00 0.00 C ATOM 327 CG ASN A 23 -8.100 18.439 -19.456 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.842 18.529 -20.657 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.213 19.500 -18.666 1.00 0.00 N ATOM 0 H ASN A 23 -11.029 16.640 -19.500 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.388 15.904 -20.598 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.886 17.209 -17.891 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.337 16.676 -18.513 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.085 20.437 -19.049 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.428 19.378 -17.676 1.00 0.00 H new ATOM 336 N ILE A 24 -8.781 13.684 -19.600 1.00 0.00 N ATOM 337 CA ILE A 24 -8.932 12.362 -19.006 1.00 0.00 C ATOM 338 C ILE A 24 -7.698 11.978 -18.196 1.00 0.00 C ATOM 339 O ILE A 24 -6.560 12.208 -18.606 1.00 0.00 O ATOM 340 CB ILE A 24 -9.181 11.287 -20.081 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.429 11.630 -20.897 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.324 9.916 -19.436 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.678 11.781 -20.057 1.00 0.00 C ATOM 0 H ILE A 24 -8.299 13.690 -20.499 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.797 12.411 -18.345 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.324 11.263 -20.755 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.253 12.557 -21.442 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.593 10.850 -21.640 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.500 9.167 -20.208 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.410 9.672 -18.894 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.165 9.926 -18.743 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.523 12.024 -20.702 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.879 10.847 -19.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.534 12.581 -19.331 1.00 0.00 H new ATOM 355 N PRO A 25 -7.926 11.378 -17.018 1.00 0.00 N ATOM 356 CA PRO A 25 -6.845 10.947 -16.127 1.00 0.00 C ATOM 357 C PRO A 25 -6.066 9.764 -16.690 1.00 0.00 C ATOM 358 O PRO A 25 -6.586 8.652 -16.782 1.00 0.00 O ATOM 359 CB PRO A 25 -7.581 10.542 -14.847 1.00 0.00 C ATOM 360 CG PRO A 25 -8.953 10.176 -15.298 1.00 0.00 C ATOM 361 CD PRO A 25 -9.257 11.073 -16.467 1.00 0.00 C ATOM 0 HA PRO A 25 -6.102 11.731 -15.979 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.089 9.703 -14.356 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.606 11.361 -14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.002 9.126 -15.588 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.678 10.319 -14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.891 10.576 -17.201 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.779 11.977 -16.155 1.00 0.00 H new ATOM 369 N VAL A 26 -4.815 10.011 -17.066 1.00 0.00 N ATOM 370 CA VAL A 26 -3.963 8.965 -17.619 1.00 0.00 C ATOM 371 C VAL A 26 -3.414 8.064 -16.519 1.00 0.00 C ATOM 372 O VAL A 26 -3.117 8.523 -15.416 1.00 0.00 O ATOM 373 CB VAL A 26 -2.785 9.561 -18.413 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.282 10.612 -19.395 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.750 10.151 -17.468 1.00 0.00 C ATOM 0 H VAL A 26 -4.369 10.926 -16.998 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.585 8.375 -18.292 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.310 8.761 -18.981 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.437 11.022 -19.947 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.984 10.155 -20.093 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.782 11.412 -18.849 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.925 10.567 -18.046 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.209 10.939 -16.871 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.373 9.370 -16.808 1.00 0.00 H new ATOM 385 N TYR A 27 -3.281 6.778 -16.826 1.00 0.00 N ATOM 386 CA TYR A 27 -2.770 5.811 -15.862 1.00 0.00 C ATOM 387 C TYR A 27 -1.673 4.951 -16.483 1.00 0.00 C ATOM 388 O TYR A 27 -1.936 4.131 -17.362 1.00 0.00 O ATOM 389 CB TYR A 27 -3.904 4.920 -15.351 1.00 0.00 C ATOM 390 CG TYR A 27 -4.952 5.669 -14.560 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.897 6.464 -15.199 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.999 5.582 -13.175 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.856 7.150 -14.480 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.956 6.264 -12.448 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.882 7.047 -13.105 1.00 0.00 C ATOM 396 OH TYR A 27 -7.837 7.729 -12.386 1.00 0.00 O ATOM 0 H TYR A 27 -3.520 6.381 -17.735 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.344 6.362 -15.024 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.382 4.432 -16.200 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.483 4.133 -14.726 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.881 6.546 -16.276 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.275 4.971 -12.657 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.582 7.764 -14.992 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.979 6.184 -11.371 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.683 7.236 -12.416 1.00 0.00 H new ATOM 406 N GLU A 28 -0.443 5.145 -16.018 1.00 0.00 N ATOM 407 CA GLU A 28 0.694 4.388 -16.527 1.00 0.00 C ATOM 408 C GLU A 28 1.518 3.807 -15.382 1.00 0.00 C ATOM 409 O GLU A 28 1.885 4.518 -14.445 1.00 0.00 O ATOM 410 CB GLU A 28 1.576 5.278 -17.405 1.00 0.00 C ATOM 411 CG GLU A 28 2.475 4.500 -18.352 1.00 0.00 C ATOM 412 CD GLU A 28 3.254 5.402 -19.289 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.618 6.177 -20.034 1.00 0.00 O ATOM 414 OE2 GLU A 28 4.501 5.333 -19.278 1.00 0.00 O ATOM 0 H GLU A 28 -0.209 5.820 -15.290 1.00 0.00 H new ATOM 0 HA GLU A 28 0.309 3.564 -17.128 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.940 5.944 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.195 5.907 -16.765 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.172 3.896 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.868 3.810 -18.939 1.00 0.00 H new ATOM 421 N CYS A 29 1.805 2.513 -15.464 1.00 0.00 N ATOM 422 CA CYS A 29 2.585 1.836 -14.434 1.00 0.00 C ATOM 423 C CYS A 29 4.079 1.971 -14.706 1.00 0.00 C ATOM 424 O CYS A 29 4.608 1.361 -15.635 1.00 0.00 O ATOM 425 CB CYS A 29 2.199 0.358 -14.362 1.00 0.00 C ATOM 426 SG CYS A 29 3.464 -0.700 -13.621 1.00 0.00 S ATOM 0 H CYS A 29 1.509 1.911 -16.233 1.00 0.00 H new ATOM 0 HA CYS A 29 2.365 2.309 -13.477 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.278 0.262 -13.787 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.985 -0.000 -15.369 1.00 0.00 H new ATOM 0 HG CYS A 29 2.920 -1.810 -13.219 1.00 0.00 H new ATOM 432 N GLU A 30 4.754 2.776 -13.891 1.00 0.00 N ATOM 433 CA GLU A 30 6.187 2.993 -14.047 1.00 0.00 C ATOM 434 C GLU A 30 6.983 1.890 -13.355 1.00 0.00 C ATOM 435 O GLU A 30 7.710 1.135 -14.002 1.00 0.00 O ATOM 436 CB GLU A 30 6.584 4.357 -13.478 1.00 0.00 C ATOM 437 CG GLU A 30 5.966 5.529 -14.220 1.00 0.00 C ATOM 438 CD GLU A 30 4.495 5.711 -13.902 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.116 5.540 -12.725 1.00 0.00 O ATOM 440 OE2 GLU A 30 3.722 6.024 -14.832 1.00 0.00 O ATOM 0 H GLU A 30 4.331 3.288 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 30 6.418 2.970 -15.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.288 4.404 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.670 4.451 -13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.505 6.441 -13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.086 5.379 -15.293 1.00 0.00 H new ATOM 447 N ARG A 31 6.840 1.803 -12.037 1.00 0.00 N ATOM 448 CA ARG A 31 7.546 0.794 -11.256 1.00 0.00 C ATOM 449 C ARG A 31 6.786 -0.529 -11.264 1.00 0.00 C ATOM 450 O ARG A 31 5.602 -0.578 -10.932 1.00 0.00 O ATOM 451 CB ARG A 31 7.740 1.275 -9.817 1.00 0.00 C ATOM 452 CG ARG A 31 8.973 0.697 -9.143 1.00 0.00 C ATOM 453 CD ARG A 31 9.367 1.505 -7.916 1.00 0.00 C ATOM 454 NE ARG A 31 10.018 2.762 -8.273 1.00 0.00 N ATOM 455 CZ ARG A 31 11.237 2.835 -8.797 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.933 1.729 -9.022 1.00 0.00 N ATOM 457 NH2 ARG A 31 11.762 4.016 -9.096 1.00 0.00 N ATOM 0 H ARG A 31 6.241 2.419 -11.487 1.00 0.00 H new ATOM 0 HA ARG A 31 8.523 0.635 -11.713 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.810 2.363 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.859 1.010 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.780 -0.336 -8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.802 0.680 -9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.479 1.714 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.038 0.914 -7.293 1.00 0.00 H new ATOM 0 HE ARG A 31 9.510 3.631 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.533 0.819 -8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.868 1.788 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.230 4.869 -8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.698 4.071 -9.498 1.00 0.00 H new ATOM 471 N SER A 32 7.475 -1.600 -11.646 1.00 0.00 N ATOM 472 CA SER A 32 6.865 -2.923 -11.701 1.00 0.00 C ATOM 473 C SER A 32 7.765 -3.965 -11.044 1.00 0.00 C ATOM 474 O SER A 32 8.733 -4.432 -11.645 1.00 0.00 O ATOM 475 CB SER A 32 6.583 -3.317 -13.152 1.00 0.00 C ATOM 476 OG SER A 32 7.759 -3.240 -13.939 1.00 0.00 O ATOM 0 H SER A 32 8.457 -1.577 -11.922 1.00 0.00 H new ATOM 0 HA SER A 32 5.924 -2.885 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.185 -4.331 -13.186 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.819 -2.660 -13.569 1.00 0.00 H new ATOM 0 HG SER A 32 8.513 -3.617 -13.439 1.00 0.00 H new ATOM 482 N ASP A 33 7.439 -4.323 -9.808 1.00 0.00 N ATOM 483 CA ASP A 33 8.217 -5.311 -9.068 1.00 0.00 C ATOM 484 C ASP A 33 7.366 -6.531 -8.730 1.00 0.00 C ATOM 485 O ASP A 33 6.363 -6.425 -8.024 1.00 0.00 O ATOM 486 CB ASP A 33 8.777 -4.693 -7.786 1.00 0.00 C ATOM 487 CG ASP A 33 10.058 -5.365 -7.331 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.891 -5.702 -8.199 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.228 -5.555 -6.109 1.00 0.00 O ATOM 0 H ASP A 33 6.642 -3.945 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 33 9.045 -5.633 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.965 -3.632 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.031 -4.766 -6.995 1.00 0.00 H new ATOM 494 N VAL A 34 7.773 -7.689 -9.240 1.00 0.00 N ATOM 495 CA VAL A 34 7.048 -8.930 -8.993 1.00 0.00 C ATOM 496 C VAL A 34 7.891 -9.907 -8.182 1.00 0.00 C ATOM 497 O VAL A 34 8.756 -10.594 -8.726 1.00 0.00 O ATOM 498 CB VAL A 34 6.624 -9.605 -10.311 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.482 -8.838 -10.961 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.810 -9.715 -11.257 1.00 0.00 C ATOM 0 H VAL A 34 8.601 -7.794 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 34 6.155 -8.667 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 34 6.272 -10.612 -10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.196 -9.330 -11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.627 -8.816 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.803 -7.818 -11.174 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.493 -10.194 -12.183 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.194 -8.719 -11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.594 -10.311 -10.790 1.00 0.00 H new ATOM 510 N GLN A 35 7.633 -9.964 -6.880 1.00 0.00 N ATOM 511 CA GLN A 35 8.370 -10.857 -5.994 1.00 0.00 C ATOM 512 C GLN A 35 7.417 -11.752 -5.208 1.00 0.00 C ATOM 513 O GLN A 35 7.845 -12.686 -4.529 1.00 0.00 O ATOM 514 CB GLN A 35 9.241 -10.050 -5.030 1.00 0.00 C ATOM 515 CG GLN A 35 10.217 -9.117 -5.728 1.00 0.00 C ATOM 516 CD GLN A 35 11.219 -8.499 -4.773 1.00 0.00 C ATOM 517 OE1 GLN A 35 12.374 -8.921 -4.709 1.00 0.00 O ATOM 518 NE2 GLN A 35 10.781 -7.494 -4.023 1.00 0.00 N ATOM 0 H GLN A 35 6.919 -9.403 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 35 9.011 -11.489 -6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.596 -9.464 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.800 -10.738 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.751 -9.669 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.661 -8.324 -6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.815 -7.177 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.410 -7.040 -3.361 1.00 0.00 H new ATOM 527 N ILE A 36 6.124 -11.461 -5.306 1.00 0.00 N ATOM 528 CA ILE A 36 5.111 -12.240 -4.605 1.00 0.00 C ATOM 529 C ILE A 36 3.810 -12.290 -5.398 1.00 0.00 C ATOM 530 O ILE A 36 3.735 -11.791 -6.521 1.00 0.00 O ATOM 531 CB ILE A 36 4.825 -11.663 -3.206 1.00 0.00 C ATOM 532 CG1 ILE A 36 4.424 -10.190 -3.310 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.042 -11.824 -2.307 1.00 0.00 C ATOM 534 CD1 ILE A 36 5.604 -9.245 -3.370 1.00 0.00 C ATOM 0 H ILE A 36 5.753 -10.692 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 36 5.507 -13.250 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 36 3.996 -12.216 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.812 -10.051 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.803 -9.929 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.824 -11.411 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.286 -12.882 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.889 -11.294 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.245 -8.218 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.205 -9.356 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.213 -9.479 -4.243 1.00 0.00 H new ATOM 546 N HIS A 37 2.784 -12.894 -4.805 1.00 0.00 N ATOM 547 CA HIS A 37 1.484 -13.007 -5.455 1.00 0.00 C ATOM 548 C HIS A 37 0.993 -11.642 -5.930 1.00 0.00 C ATOM 549 O HIS A 37 0.627 -11.473 -7.093 1.00 0.00 O ATOM 550 CB HIS A 37 0.463 -13.623 -4.498 1.00 0.00 C ATOM 551 CG HIS A 37 0.391 -12.931 -3.172 1.00 0.00 C ATOM 552 ND1 HIS A 37 1.276 -12.885 -2.148 1.00 0.00 N flip ATOM 553 CD2 HIS A 37 -0.692 -12.175 -2.775 1.00 0.00 C flip ATOM 554 CE1 HIS A 37 0.717 -12.109 -1.162 1.00 0.00 C flip ATOM 555 NE2 HIS A 37 -0.469 -11.693 -1.566 1.00 0.00 N flip ATOM 0 H HIS A 37 2.829 -13.312 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 37 1.596 -13.656 -6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.521 -13.598 -4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.714 -14.672 -4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.583 -12.004 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.173 -11.877 -0.211 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.106 -11.100 -1.034 1.00 0.00 H new ATOM 563 N VAL A 38 0.989 -10.671 -5.022 1.00 0.00 N ATOM 564 CA VAL A 38 0.544 -9.322 -5.348 1.00 0.00 C ATOM 565 C VAL A 38 1.726 -8.366 -5.463 1.00 0.00 C ATOM 566 O VAL A 38 2.266 -7.884 -4.467 1.00 0.00 O ATOM 567 CB VAL A 38 -0.437 -8.783 -4.289 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.234 -8.716 -2.926 1.00 0.00 C ATOM 569 CG2 VAL A 38 -0.966 -7.417 -4.700 1.00 0.00 C ATOM 0 H VAL A 38 1.289 -10.794 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 38 0.033 -9.381 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.282 -9.468 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.474 -8.333 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.560 -9.714 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.098 -8.053 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.657 -7.051 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.134 -6.720 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.486 -7.500 -5.654 1.00 0.00 H new ATOM 579 N PRO A 39 2.139 -8.083 -6.707 1.00 0.00 N ATOM 580 CA PRO A 39 3.262 -7.181 -6.983 1.00 0.00 C ATOM 581 C PRO A 39 2.932 -5.729 -6.657 1.00 0.00 C ATOM 582 O PRO A 39 1.934 -5.441 -5.995 1.00 0.00 O ATOM 583 CB PRO A 39 3.494 -7.353 -8.486 1.00 0.00 C ATOM 584 CG PRO A 39 2.177 -7.794 -9.025 1.00 0.00 C ATOM 585 CD PRO A 39 1.542 -8.621 -7.941 1.00 0.00 C ATOM 0 HA PRO A 39 4.134 -7.417 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.817 -6.419 -8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.270 -8.092 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.553 -6.937 -9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.304 -8.377 -9.937 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.457 -8.518 -7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.761 -9.682 -8.064 1.00 0.00 H new ATOM 593 N THR A 40 3.777 -4.815 -7.126 1.00 0.00 N ATOM 594 CA THR A 40 3.575 -3.392 -6.883 1.00 0.00 C ATOM 595 C THR A 40 3.649 -2.598 -8.182 1.00 0.00 C ATOM 596 O THR A 40 4.707 -2.502 -8.804 1.00 0.00 O ATOM 597 CB THR A 40 4.619 -2.838 -5.895 1.00 0.00 C ATOM 598 OG1 THR A 40 5.940 -3.121 -6.368 1.00 0.00 O ATOM 599 CG2 THR A 40 4.429 -3.442 -4.512 1.00 0.00 C ATOM 0 H THR A 40 4.607 -5.035 -7.676 1.00 0.00 H new ATOM 0 HA THR A 40 2.581 -3.282 -6.449 1.00 0.00 H new ATOM 0 HB THR A 40 4.483 -1.759 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.970 -3.010 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.177 -3.036 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.433 -3.199 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.540 -4.525 -4.569 1.00 0.00 H new ATOM 607 N PHE A 41 2.519 -2.028 -8.587 1.00 0.00 N ATOM 608 CA PHE A 41 2.456 -1.241 -9.813 1.00 0.00 C ATOM 609 C PHE A 41 2.206 0.232 -9.501 1.00 0.00 C ATOM 610 O PHE A 41 1.144 0.602 -8.999 1.00 0.00 O ATOM 611 CB PHE A 41 1.353 -1.774 -10.730 1.00 0.00 C ATOM 612 CG PHE A 41 1.716 -3.057 -11.420 1.00 0.00 C ATOM 613 CD1 PHE A 41 2.135 -4.158 -10.690 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.638 -3.163 -12.799 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.469 -5.340 -11.322 1.00 0.00 C ATOM 616 CE2 PHE A 41 1.971 -4.344 -13.437 1.00 0.00 C ATOM 617 CZ PHE A 41 2.388 -5.433 -12.697 1.00 0.00 C ATOM 0 H PHE A 41 1.634 -2.096 -8.084 1.00 0.00 H new ATOM 0 HA PHE A 41 3.416 -1.329 -10.322 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.448 -1.930 -10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.120 -1.020 -11.482 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.201 -4.091 -9.614 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.314 -2.314 -13.382 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.793 -6.191 -10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.905 -4.415 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.650 -6.356 -13.193 1.00 0.00 H new ATOM 627 N THR A 42 3.193 1.070 -9.802 1.00 0.00 N ATOM 628 CA THR A 42 3.083 2.502 -9.553 1.00 0.00 C ATOM 629 C THR A 42 2.425 3.215 -10.729 1.00 0.00 C ATOM 630 O THR A 42 3.062 3.459 -11.754 1.00 0.00 O ATOM 631 CB THR A 42 4.463 3.134 -9.290 1.00 0.00 C ATOM 632 OG1 THR A 42 5.050 2.559 -8.118 1.00 0.00 O ATOM 633 CG2 THR A 42 4.343 4.641 -9.117 1.00 0.00 C ATOM 0 H THR A 42 4.078 0.781 -10.219 1.00 0.00 H new ATOM 0 HA THR A 42 2.462 2.622 -8.665 1.00 0.00 H new ATOM 0 HB THR A 42 5.101 2.932 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.928 2.965 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.330 5.066 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.923 5.079 -10.023 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.690 4.859 -8.272 1.00 0.00 H new ATOM 641 N PHE A 43 1.148 3.548 -10.574 1.00 0.00 N ATOM 642 CA PHE A 43 0.404 4.234 -11.624 1.00 0.00 C ATOM 643 C PHE A 43 0.464 5.747 -11.434 1.00 0.00 C ATOM 644 O PHE A 43 0.179 6.259 -10.351 1.00 0.00 O ATOM 645 CB PHE A 43 -1.053 3.767 -11.634 1.00 0.00 C ATOM 646 CG PHE A 43 -1.250 2.429 -12.287 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.102 1.259 -11.559 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.582 2.341 -13.629 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.282 0.027 -12.158 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.764 1.111 -14.233 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.613 -0.047 -13.497 1.00 0.00 C ATOM 0 H PHE A 43 0.607 3.354 -9.732 1.00 0.00 H new ATOM 0 HA PHE A 43 0.864 3.988 -12.581 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.418 3.719 -10.608 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.660 4.509 -12.153 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.843 1.311 -10.512 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.700 3.244 -14.210 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.164 -0.877 -11.580 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.024 1.056 -15.280 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.753 -1.009 -13.967 1.00 0.00 H new ATOM 661 N ARG A 44 0.838 6.456 -12.494 1.00 0.00 N ATOM 662 CA ARG A 44 0.938 7.910 -12.444 1.00 0.00 C ATOM 663 C ARG A 44 -0.312 8.561 -13.030 1.00 0.00 C ATOM 664 O ARG A 44 -0.637 8.362 -14.201 1.00 0.00 O ATOM 665 CB ARG A 44 2.177 8.383 -13.205 1.00 0.00 C ATOM 666 CG ARG A 44 2.500 9.853 -12.988 1.00 0.00 C ATOM 667 CD ARG A 44 3.968 10.146 -13.255 1.00 0.00 C ATOM 668 NE ARG A 44 4.418 11.357 -12.573 1.00 0.00 N ATOM 669 CZ ARG A 44 5.492 12.048 -12.935 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.224 11.651 -13.967 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.837 13.140 -12.265 1.00 0.00 N ATOM 0 H ARG A 44 1.077 6.047 -13.398 1.00 0.00 H new ATOM 0 HA ARG A 44 1.026 8.208 -11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.033 7.782 -12.898 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.029 8.206 -14.270 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.881 10.464 -13.645 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.252 10.134 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.572 9.300 -12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.127 10.254 -14.328 1.00 0.00 H new ATOM 0 HE ARG A 44 3.877 11.690 -11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.962 10.812 -14.485 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.049 12.184 -14.243 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.277 13.449 -11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.663 13.670 -12.544 1.00 0.00 H new ATOM 685 N VAL A 45 -1.008 9.339 -12.208 1.00 0.00 N ATOM 686 CA VAL A 45 -2.222 10.019 -12.645 1.00 0.00 C ATOM 687 C VAL A 45 -1.942 11.481 -12.976 1.00 0.00 C ATOM 688 O VAL A 45 -1.492 12.248 -12.124 1.00 0.00 O ATOM 689 CB VAL A 45 -3.322 9.949 -11.570 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.095 11.010 -10.503 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.696 10.105 -12.203 1.00 0.00 C ATOM 0 H VAL A 45 -0.753 9.514 -11.236 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.568 9.505 -13.542 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.276 8.971 -11.092 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.882 10.945 -9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.127 10.848 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.113 11.998 -10.963 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.461 10.053 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.756 11.069 -12.709 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.856 9.305 -12.926 1.00 0.00 H new ATOM 701 N THR A 46 -2.214 11.862 -14.221 1.00 0.00 N ATOM 702 CA THR A 46 -1.991 13.232 -14.666 1.00 0.00 C ATOM 703 C THR A 46 -3.283 13.861 -15.177 1.00 0.00 C ATOM 704 O THR A 46 -3.802 13.472 -16.223 1.00 0.00 O ATOM 705 CB THR A 46 -0.928 13.296 -15.778 1.00 0.00 C ATOM 706 OG1 THR A 46 0.291 12.694 -15.326 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.665 14.735 -16.194 1.00 0.00 C ATOM 0 H THR A 46 -2.589 11.241 -14.938 1.00 0.00 H new ATOM 0 HA THR A 46 -1.635 13.791 -13.801 1.00 0.00 H new ATOM 0 HB THR A 46 -1.305 12.748 -16.642 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.743 13.299 -14.702 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.089 14.754 -16.981 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.588 15.181 -16.565 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.308 15.303 -15.335 1.00 0.00 H new ATOM 715 N VAL A 47 -3.797 14.834 -14.432 1.00 0.00 N ATOM 716 CA VAL A 47 -5.027 15.518 -14.811 1.00 0.00 C ATOM 717 C VAL A 47 -4.803 17.020 -14.942 1.00 0.00 C ATOM 718 O VAL A 47 -4.712 17.734 -13.944 1.00 0.00 O ATOM 719 CB VAL A 47 -6.149 15.265 -13.786 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.383 16.085 -14.131 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.485 13.783 -13.720 1.00 0.00 C ATOM 0 H VAL A 47 -3.380 15.166 -13.562 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.329 15.113 -15.777 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.797 15.579 -12.803 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.165 15.893 -13.396 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.129 17.145 -14.123 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.740 15.805 -15.122 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.279 13.622 -12.991 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.817 13.441 -14.700 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.599 13.222 -13.421 1.00 0.00 H new ATOM 731 N GLY A 48 -4.716 17.494 -16.181 1.00 0.00 N ATOM 732 CA GLY A 48 -4.504 18.910 -16.421 1.00 0.00 C ATOM 733 C GLY A 48 -3.153 19.385 -15.925 1.00 0.00 C ATOM 734 O GLY A 48 -2.162 19.329 -16.654 1.00 0.00 O ATOM 0 H GLY A 48 -4.789 16.923 -17.023 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.587 19.111 -17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.290 19.481 -15.927 1.00 0.00 H new ATOM 738 N ASP A 49 -3.112 19.856 -14.684 1.00 0.00 N ATOM 739 CA ASP A 49 -1.872 20.344 -14.092 1.00 0.00 C ATOM 740 C ASP A 49 -1.482 19.506 -12.879 1.00 0.00 C ATOM 741 O ASP A 49 -0.321 19.492 -12.469 1.00 0.00 O ATOM 742 CB ASP A 49 -2.018 21.812 -13.687 1.00 0.00 C ATOM 743 CG ASP A 49 -1.839 22.756 -14.860 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.174 22.365 -15.841 1.00 0.00 O ATOM 745 OD2 ASP A 49 -2.365 23.887 -14.796 1.00 0.00 O ATOM 0 H ASP A 49 -3.923 19.910 -14.068 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.083 20.258 -14.840 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.002 21.968 -13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.283 22.049 -12.918 1.00 0.00 H new ATOM 750 N ILE A 50 -2.459 18.809 -12.308 1.00 0.00 N ATOM 751 CA ILE A 50 -2.217 17.968 -11.143 1.00 0.00 C ATOM 752 C ILE A 50 -1.694 16.596 -11.553 1.00 0.00 C ATOM 753 O ILE A 50 -2.277 15.925 -12.405 1.00 0.00 O ATOM 754 CB ILE A 50 -3.497 17.787 -10.304 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.150 19.144 -10.031 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.178 17.074 -8.999 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.649 19.066 -9.848 1.00 0.00 C ATOM 0 H ILE A 50 -3.426 18.810 -12.634 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.464 18.475 -10.539 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.200 17.174 -10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.705 19.579 -9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.927 19.818 -10.858 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.092 16.954 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.753 16.094 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.460 17.663 -8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.045 20.064 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.105 18.660 -10.751 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.879 18.418 -9.003 1.00 0.00 H new ATOM 769 N THR A 51 -0.589 16.183 -10.940 1.00 0.00 N ATOM 770 CA THR A 51 0.014 14.890 -11.241 1.00 0.00 C ATOM 771 C THR A 51 0.341 14.126 -9.963 1.00 0.00 C ATOM 772 O THR A 51 1.183 14.553 -9.172 1.00 0.00 O ATOM 773 CB THR A 51 1.300 15.050 -12.074 1.00 0.00 C ATOM 774 OG1 THR A 51 0.967 15.313 -13.442 1.00 0.00 O ATOM 775 CG2 THR A 51 2.160 13.799 -11.986 1.00 0.00 C ATOM 0 H THR A 51 -0.093 16.725 -10.232 1.00 0.00 H new ATOM 0 HA THR A 51 -0.717 14.327 -11.821 1.00 0.00 H new ATOM 0 HB THR A 51 1.867 15.889 -11.671 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.789 15.415 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.062 13.935 -12.582 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.435 13.619 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.600 12.945 -12.366 1.00 0.00 H new ATOM 783 N CYS A 52 -0.327 12.995 -9.768 1.00 0.00 N ATOM 784 CA CYS A 52 -0.107 12.170 -8.585 1.00 0.00 C ATOM 785 C CYS A 52 0.316 10.759 -8.978 1.00 0.00 C ATOM 786 O CYS A 52 0.392 10.427 -10.161 1.00 0.00 O ATOM 787 CB CYS A 52 -1.374 12.117 -7.731 1.00 0.00 C ATOM 788 SG CYS A 52 -1.614 13.565 -6.674 1.00 0.00 S ATOM 0 H CYS A 52 -1.026 12.628 -10.414 1.00 0.00 H new ATOM 0 HA CYS A 52 0.696 12.621 -8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.238 12.013 -8.388 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.340 11.225 -7.105 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.545 13.208 -5.426 1.00 0.00 H new ATOM 794 N THR A 53 0.593 9.929 -7.976 1.00 0.00 N ATOM 795 CA THR A 53 1.011 8.554 -8.216 1.00 0.00 C ATOM 796 C THR A 53 0.553 7.635 -7.089 1.00 0.00 C ATOM 797 O THR A 53 0.433 8.058 -5.940 1.00 0.00 O ATOM 798 CB THR A 53 2.542 8.449 -8.358 1.00 0.00 C ATOM 799 OG1 THR A 53 3.145 8.308 -7.067 1.00 0.00 O ATOM 800 CG2 THR A 53 3.106 9.677 -9.056 1.00 0.00 C ATOM 0 H THR A 53 0.535 10.186 -6.991 1.00 0.00 H new ATOM 0 HA THR A 53 0.544 8.240 -9.150 1.00 0.00 H new ATOM 0 HB THR A 53 2.770 7.571 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.118 8.240 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.188 9.580 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.667 9.765 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.868 10.568 -8.474 1.00 0.00 H new ATOM 808 N GLY A 54 0.298 6.374 -7.426 1.00 0.00 N ATOM 809 CA GLY A 54 -0.144 5.416 -6.430 1.00 0.00 C ATOM 810 C GLY A 54 0.714 4.166 -6.408 1.00 0.00 C ATOM 811 O GLY A 54 0.448 3.211 -7.137 1.00 0.00 O ATOM 0 H GLY A 54 0.390 5.999 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.124 5.884 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.179 5.139 -6.630 1.00 0.00 H new ATOM 815 N GLU A 55 1.746 4.173 -5.571 1.00 0.00 N ATOM 816 CA GLU A 55 2.647 3.032 -5.460 1.00 0.00 C ATOM 817 C GLU A 55 2.375 2.247 -4.179 1.00 0.00 C ATOM 818 O GLU A 55 2.058 2.824 -3.140 1.00 0.00 O ATOM 819 CB GLU A 55 4.104 3.499 -5.485 1.00 0.00 C ATOM 820 CG GLU A 55 5.105 2.382 -5.246 1.00 0.00 C ATOM 821 CD GLU A 55 5.410 2.176 -3.775 1.00 0.00 C ATOM 822 OE1 GLU A 55 5.874 3.135 -3.125 1.00 0.00 O ATOM 823 OE2 GLU A 55 5.183 1.054 -3.275 1.00 0.00 O ATOM 0 H GLU A 55 1.979 4.956 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 55 2.469 2.377 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.312 3.962 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.243 4.269 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.716 1.454 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.030 2.608 -5.777 1.00 0.00 H new ATOM 830 N GLY A 56 2.501 0.926 -4.264 1.00 0.00 N ATOM 831 CA GLY A 56 2.265 0.083 -3.106 1.00 0.00 C ATOM 832 C GLY A 56 1.667 -1.259 -3.479 1.00 0.00 C ATOM 833 O GLY A 56 2.104 -2.300 -2.987 1.00 0.00 O ATOM 0 H GLY A 56 2.762 0.425 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.205 -0.076 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.595 0.597 -2.417 1.00 0.00 H new ATOM 837 N THR A 57 0.663 -1.236 -4.349 1.00 0.00 N ATOM 838 CA THR A 57 0.001 -2.460 -4.785 1.00 0.00 C ATOM 839 C THR A 57 -0.199 -2.468 -6.296 1.00 0.00 C ATOM 840 O THR A 57 0.213 -1.540 -6.992 1.00 0.00 O ATOM 841 CB THR A 57 -1.365 -2.636 -4.097 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.349 -2.009 -2.809 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.709 -4.110 -3.945 1.00 0.00 C ATOM 0 H THR A 57 0.290 -0.383 -4.766 1.00 0.00 H new ATOM 0 HA THR A 57 0.651 -3.288 -4.502 1.00 0.00 H new ATOM 0 HB THR A 57 -2.125 -2.165 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.531 -2.679 -2.117 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.678 -4.209 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.749 -4.578 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.946 -4.601 -3.341 1.00 0.00 H new ATOM 851 N SER A 58 -0.835 -3.522 -6.798 1.00 0.00 N ATOM 852 CA SER A 58 -1.087 -3.652 -8.229 1.00 0.00 C ATOM 853 C SER A 58 -2.381 -2.945 -8.619 1.00 0.00 C ATOM 854 O SER A 58 -3.048 -2.337 -7.781 1.00 0.00 O ATOM 855 CB SER A 58 -1.160 -5.129 -8.623 1.00 0.00 C ATOM 856 OG SER A 58 -0.062 -5.852 -8.095 1.00 0.00 O ATOM 0 H SER A 58 -1.185 -4.298 -6.236 1.00 0.00 H new ATOM 0 HA SER A 58 -0.261 -3.181 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.092 -5.560 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.170 -5.219 -9.709 1.00 0.00 H new ATOM 0 HG SER A 58 -0.391 -6.561 -7.503 1.00 0.00 H new ATOM 862 N LYS A 59 -2.732 -3.029 -9.898 1.00 0.00 N ATOM 863 CA LYS A 59 -3.946 -2.399 -10.402 1.00 0.00 C ATOM 864 C LYS A 59 -5.060 -2.454 -9.361 1.00 0.00 C ATOM 865 O LYS A 59 -5.917 -1.572 -9.306 1.00 0.00 O ATOM 866 CB LYS A 59 -4.404 -3.086 -11.691 1.00 0.00 C ATOM 867 CG LYS A 59 -3.401 -2.978 -12.826 1.00 0.00 C ATOM 868 CD LYS A 59 -3.490 -4.171 -13.764 1.00 0.00 C ATOM 869 CE LYS A 59 -2.649 -5.336 -13.264 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.838 -6.554 -14.099 1.00 0.00 N ATOM 0 H LYS A 59 -2.192 -3.528 -10.605 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.722 -1.354 -10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.594 -4.139 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.350 -2.648 -12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.581 -2.060 -13.385 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.393 -2.910 -12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.530 -4.485 -13.858 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.154 -3.879 -14.759 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.597 -5.052 -13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.915 -5.559 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.248 -7.325 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.838 -6.840 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.560 -6.349 -15.080 1.00 0.00 H new ATOM 884 N LYS A 60 -5.041 -3.495 -8.536 1.00 0.00 N ATOM 885 CA LYS A 60 -6.047 -3.665 -7.494 1.00 0.00 C ATOM 886 C LYS A 60 -6.200 -2.389 -6.673 1.00 0.00 C ATOM 887 O LYS A 60 -7.203 -1.682 -6.785 1.00 0.00 O ATOM 888 CB LYS A 60 -5.671 -4.832 -6.578 1.00 0.00 C ATOM 889 CG LYS A 60 -5.614 -6.171 -7.291 1.00 0.00 C ATOM 890 CD LYS A 60 -7.002 -6.667 -7.659 1.00 0.00 C ATOM 891 CE LYS A 60 -7.706 -7.292 -6.464 1.00 0.00 C ATOM 892 NZ LYS A 60 -9.026 -7.870 -6.837 1.00 0.00 N ATOM 0 H LYS A 60 -4.339 -4.235 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.000 -3.883 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.700 -4.629 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.395 -4.893 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.009 -6.078 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.123 -6.904 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.597 -5.837 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.926 -7.400 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.075 -8.072 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.846 -6.538 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.473 -8.286 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.637 -7.121 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.891 -8.608 -7.557 1.00 0.00 H new ATOM 906 N LEU A 61 -5.200 -2.098 -5.848 1.00 0.00 N ATOM 907 CA LEU A 61 -5.223 -0.905 -5.008 1.00 0.00 C ATOM 908 C LEU A 61 -4.505 0.255 -5.691 1.00 0.00 C ATOM 909 O LEU A 61 -5.058 1.346 -5.827 1.00 0.00 O ATOM 910 CB LEU A 61 -4.572 -1.198 -3.655 1.00 0.00 C ATOM 911 CG LEU A 61 -3.861 -0.021 -2.984 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.691 1.247 -3.112 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.581 -0.332 -1.521 1.00 0.00 C ATOM 0 H LEU A 61 -4.363 -2.672 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.263 -0.621 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.341 -1.567 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.851 -2.004 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.909 0.140 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.170 2.073 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.841 1.479 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.658 1.099 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.075 0.516 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.521 -0.520 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.946 -1.215 -1.452 1.00 0.00 H new ATOM 925 N ALA A 62 -3.271 0.010 -6.120 1.00 0.00 N ATOM 926 CA ALA A 62 -2.480 1.033 -6.792 1.00 0.00 C ATOM 927 C ALA A 62 -3.368 1.969 -7.605 1.00 0.00 C ATOM 928 O ALA A 62 -3.265 3.191 -7.496 1.00 0.00 O ATOM 929 CB ALA A 62 -1.433 0.387 -7.687 1.00 0.00 C ATOM 0 H ALA A 62 -2.798 -0.888 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.975 1.626 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.849 1.163 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.772 -0.235 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.927 -0.231 -8.437 1.00 0.00 H new ATOM 935 N LYS A 63 -4.241 1.387 -8.421 1.00 0.00 N ATOM 936 CA LYS A 63 -5.148 2.168 -9.253 1.00 0.00 C ATOM 937 C LYS A 63 -6.064 3.035 -8.395 1.00 0.00 C ATOM 938 O LYS A 63 -6.136 4.251 -8.577 1.00 0.00 O ATOM 939 CB LYS A 63 -5.987 1.242 -10.138 1.00 0.00 C ATOM 940 CG LYS A 63 -6.391 1.867 -11.461 1.00 0.00 C ATOM 941 CD LYS A 63 -5.352 1.612 -12.540 1.00 0.00 C ATOM 942 CE LYS A 63 -5.794 2.170 -13.884 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.685 1.225 -14.612 1.00 0.00 N ATOM 0 H LYS A 63 -4.339 0.377 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.548 2.821 -9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.422 0.331 -10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.885 0.950 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.352 1.461 -11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.525 2.941 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.405 2.068 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.176 0.540 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.315 3.115 -13.731 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.917 2.385 -14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.964 1.643 -15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.180 0.332 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.535 1.040 -14.042 1.00 0.00 H new ATOM 957 N HIS A 64 -6.762 2.402 -7.457 1.00 0.00 N ATOM 958 CA HIS A 64 -7.671 3.116 -6.568 1.00 0.00 C ATOM 959 C HIS A 64 -6.997 4.351 -5.977 1.00 0.00 C ATOM 960 O HIS A 64 -7.557 5.446 -5.999 1.00 0.00 O ATOM 961 CB HIS A 64 -8.149 2.195 -5.445 1.00 0.00 C ATOM 962 CG HIS A 64 -9.524 2.519 -4.948 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.673 2.082 -5.574 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.932 3.241 -3.878 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.727 2.522 -4.911 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.305 3.228 -3.878 1.00 0.00 N ATOM 0 H HIS A 64 -6.715 1.396 -7.293 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.532 3.439 -7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.134 1.165 -5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.447 2.256 -4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.296 3.735 -3.158 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.759 2.336 -5.170 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.902 3.689 -3.191 1.00 0.00 H new ATOM 974 N ARG A 65 -5.791 4.164 -5.450 1.00 0.00 N ATOM 975 CA ARG A 65 -5.041 5.262 -4.852 1.00 0.00 C ATOM 976 C ARG A 65 -4.700 6.321 -5.897 1.00 0.00 C ATOM 977 O ARG A 65 -4.909 7.513 -5.677 1.00 0.00 O ATOM 978 CB ARG A 65 -3.758 4.738 -4.203 1.00 0.00 C ATOM 979 CG ARG A 65 -3.929 4.348 -2.744 1.00 0.00 C ATOM 980 CD ARG A 65 -2.671 3.696 -2.191 1.00 0.00 C ATOM 981 NE ARG A 65 -2.580 3.826 -0.739 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.492 3.524 -0.041 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.407 3.076 -0.659 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.486 3.669 1.278 1.00 0.00 N ATOM 0 H ARG A 65 -5.313 3.263 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.666 5.721 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.405 3.872 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.985 5.502 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.170 5.233 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.770 3.661 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.661 2.640 -2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.794 4.151 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.397 4.168 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.408 2.963 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.428 2.845 -0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.318 4.013 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.649 3.436 1.813 1.00 0.00 H new ATOM 998 N ALA A 66 -4.173 5.875 -7.032 1.00 0.00 N ATOM 999 CA ALA A 66 -3.805 6.783 -8.112 1.00 0.00 C ATOM 1000 C ALA A 66 -4.930 7.769 -8.408 1.00 0.00 C ATOM 1001 O ALA A 66 -4.715 8.980 -8.433 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.446 5.996 -9.364 1.00 0.00 C ATOM 0 H ALA A 66 -3.991 4.891 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.933 7.353 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.173 6.687 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.604 5.337 -9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.303 5.400 -9.677 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.128 7.241 -8.632 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.287 8.076 -8.926 1.00 0.00 C ATOM 1010 C ALA A 67 -7.725 8.859 -7.693 1.00 0.00 C ATOM 1011 O ALA A 67 -8.133 10.016 -7.795 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.434 7.222 -9.446 1.00 0.00 C ATOM 0 H ALA A 67 -6.322 6.240 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.003 8.792 -9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.293 7.858 -9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.123 6.711 -10.357 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.709 6.484 -8.692 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.639 8.222 -6.530 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.029 8.860 -5.279 1.00 0.00 C ATOM 1020 C GLU A 68 -7.255 10.158 -5.066 1.00 0.00 C ATOM 1021 O GLU A 68 -7.838 11.197 -4.758 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.790 7.913 -4.101 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.983 7.028 -3.780 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.805 6.255 -2.488 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.847 5.460 -2.398 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.625 6.447 -1.565 1.00 0.00 O ATOM 0 H GLU A 68 -7.303 7.264 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.092 9.095 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.929 7.282 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.536 8.501 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.879 7.644 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.142 6.327 -4.600 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.938 10.090 -5.233 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.084 11.258 -5.062 1.00 0.00 C ATOM 1035 C ALA A 69 -5.644 12.462 -5.812 1.00 0.00 C ATOM 1036 O ALA A 69 -6.056 13.448 -5.203 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.670 10.952 -5.531 1.00 0.00 C ATOM 0 H ALA A 69 -5.439 9.237 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.057 11.505 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.043 11.834 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.264 10.126 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.688 10.676 -6.585 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.653 12.374 -7.138 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.163 13.456 -7.972 1.00 0.00 C ATOM 1045 C ALA A 70 -7.415 14.076 -7.361 1.00 0.00 C ATOM 1046 O ALA A 70 -7.414 15.245 -6.974 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.455 12.947 -9.376 1.00 0.00 C ATOM 0 H ALA A 70 -5.313 11.565 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.397 14.230 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.835 13.765 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.539 12.557 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.201 12.153 -9.328 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.481 13.287 -7.278 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.739 13.760 -6.714 1.00 0.00 C ATOM 1055 C ILE A 71 -9.497 14.647 -5.497 1.00 0.00 C ATOM 1056 O ILE A 71 -9.718 15.856 -5.545 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.649 12.586 -6.306 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.895 11.663 -7.501 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.967 13.106 -5.751 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.800 10.493 -7.185 1.00 0.00 C ATOM 0 H ILE A 71 -8.498 12.317 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.235 14.341 -7.491 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.149 12.012 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.334 12.243 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.938 11.285 -7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.599 12.265 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.774 13.726 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.473 13.700 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.930 9.882 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.353 9.890 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.771 10.863 -6.854 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.039 14.037 -4.409 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.765 14.773 -3.179 1.00 0.00 C ATOM 1074 C ASN A 72 -8.227 16.167 -3.488 1.00 0.00 C ATOM 1075 O ASN A 72 -8.500 17.123 -2.761 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.761 14.007 -2.315 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.438 13.050 -1.353 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.410 13.407 -0.687 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.925 11.828 -1.274 1.00 0.00 N ATOM 0 H ASN A 72 -8.850 13.036 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.701 14.877 -2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.082 13.450 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.155 14.716 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.338 11.142 -0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.118 11.576 -1.845 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.463 16.275 -4.569 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.889 17.552 -4.974 1.00 0.00 C ATOM 1088 C ILE A 73 -7.880 18.361 -5.805 1.00 0.00 C ATOM 1089 O ILE A 73 -8.010 19.573 -5.630 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.595 17.356 -5.786 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.520 16.695 -4.921 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.102 18.689 -6.327 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.530 15.870 -5.713 1.00 0.00 C ATOM 0 H ILE A 73 -7.227 15.493 -5.180 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.655 18.097 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.809 16.701 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.981 17.467 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.002 16.057 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.187 18.534 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.864 19.124 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.901 19.367 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.797 15.432 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.058 15.075 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.020 16.508 -6.435 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.577 17.682 -6.710 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.559 18.337 -7.568 1.00 0.00 C ATOM 1107 C LEU A 74 -10.601 19.078 -6.736 1.00 0.00 C ATOM 1108 O LEU A 74 -11.162 20.082 -7.175 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.245 17.308 -8.468 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.519 16.963 -9.768 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.029 16.794 -9.519 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.105 15.703 -10.388 1.00 0.00 C ATOM 0 H LEU A 74 -8.481 16.679 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.035 19.063 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.382 16.390 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.239 17.679 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.658 17.787 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.529 16.549 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.619 17.722 -9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.869 15.990 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.576 15.473 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.998 14.871 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.162 15.861 -10.604 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.854 18.577 -5.531 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.826 19.193 -4.635 1.00 0.00 C ATOM 1126 C LYS A 75 -11.273 20.482 -4.037 1.00 0.00 C ATOM 1127 O LYS A 75 -11.786 21.570 -4.301 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.206 18.220 -3.517 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.619 16.848 -4.018 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.449 15.787 -2.944 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.652 15.736 -2.015 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.293 15.205 -0.670 1.00 0.00 N ATOM 0 H LYS A 75 -10.399 17.746 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.716 19.436 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.359 18.110 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.025 18.647 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.660 16.876 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.021 16.583 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.308 14.813 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.549 15.995 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.072 16.736 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.426 15.110 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.140 15.186 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.915 14.241 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.573 15.817 -0.236 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.224 20.354 -3.231 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.601 21.509 -2.599 1.00 0.00 C ATOM 1148 C ALA A 76 -9.046 22.473 -3.642 1.00 0.00 C ATOM 1149 O ALA A 76 -9.421 23.644 -3.680 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.497 21.061 -1.652 1.00 0.00 C ATOM 0 H ALA A 76 -9.788 19.461 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.365 22.035 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.040 21.934 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.919 20.417 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.740 20.510 -2.210 1.00 0.00 H new ATOM 1156 N ASN A 77 -8.149 21.973 -4.486 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.541 22.791 -5.529 1.00 0.00 C ATOM 1158 C ASN A 77 -8.606 23.369 -6.456 1.00 0.00 C ATOM 1159 O ASN A 77 -8.420 24.435 -7.042 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.540 21.963 -6.337 1.00 0.00 C ATOM 1161 CG ASN A 77 -5.751 22.807 -7.319 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -5.973 22.744 -8.528 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -4.821 23.602 -6.801 1.00 0.00 N ATOM 0 H ASN A 77 -7.827 21.005 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.015 23.616 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.851 21.464 -5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.073 21.182 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.257 24.192 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.671 23.622 -5.792 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.721 22.658 -6.583 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.817 23.102 -7.436 1.00 0.00 C ATOM 1172 C ALA A 78 -10.378 23.184 -8.894 1.00 0.00 C ATOM 1173 O ALA A 78 -10.723 24.129 -9.604 1.00 0.00 O ATOM 1174 CB ALA A 78 -11.341 24.450 -6.964 1.00 0.00 C ATOM 0 H ALA A 78 -9.890 21.772 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.620 22.368 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.159 24.769 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.702 24.362 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.539 25.187 -7.004 1.00 0.00 H new ATOM 1180 N SER A 79 -9.615 22.189 -9.335 1.00 0.00 N ATOM 1181 CA SER A 79 -9.126 22.152 -10.708 1.00 0.00 C ATOM 1182 C SER A 79 -10.154 22.742 -11.668 1.00 0.00 C ATOM 1183 O SER A 79 -11.300 22.299 -11.717 1.00 0.00 O ATOM 1184 CB SER A 79 -8.797 20.714 -11.116 1.00 0.00 C ATOM 1185 OG SER A 79 -7.886 20.687 -12.201 1.00 0.00 O ATOM 0 H SER A 79 -9.322 21.398 -8.761 1.00 0.00 H new ATOM 0 HA SER A 79 -8.219 22.754 -10.760 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.371 20.180 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.713 20.193 -11.393 1.00 0.00 H new ATOM 0 HG SER A 79 -7.691 19.757 -12.441 1.00 0.00 H new ATOM 1191 N GLY A 80 -9.734 23.747 -12.431 1.00 0.00 N ATOM 1192 CA GLY A 80 -10.629 24.383 -13.379 1.00 0.00 C ATOM 1193 C GLY A 80 -10.621 25.894 -13.260 1.00 0.00 C ATOM 1194 O GLY A 80 -10.605 26.452 -12.163 1.00 0.00 O ATOM 0 H GLY A 80 -8.790 24.132 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.342 24.100 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.643 24.015 -13.221 1.00 0.00 H new ATOM 1198 N PRO A 81 -10.630 26.583 -14.412 1.00 0.00 N ATOM 1199 CA PRO A 81 -10.623 28.048 -14.458 1.00 0.00 C ATOM 1200 C PRO A 81 -11.938 28.650 -13.974 1.00 0.00 C ATOM 1201 O PRO A 81 -12.988 28.443 -14.583 1.00 0.00 O ATOM 1202 CB PRO A 81 -10.409 28.355 -15.942 1.00 0.00 C ATOM 1203 CG PRO A 81 -10.931 27.155 -16.656 1.00 0.00 C ATOM 1204 CD PRO A 81 -10.649 25.983 -15.756 1.00 0.00 C ATOM 0 HA PRO A 81 -9.859 28.472 -13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.943 29.257 -16.241 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.355 28.520 -16.164 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.999 27.250 -16.850 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.442 27.032 -17.622 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.418 25.215 -15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.697 25.510 -15.998 1.00 0.00 H new ATOM 1212 N SER A 82 -11.873 29.395 -12.875 1.00 0.00 N ATOM 1213 CA SER A 82 -13.060 30.024 -12.308 1.00 0.00 C ATOM 1214 C SER A 82 -13.778 30.873 -13.353 1.00 0.00 C ATOM 1215 O SER A 82 -13.429 32.033 -13.573 1.00 0.00 O ATOM 1216 CB SER A 82 -12.678 30.890 -11.106 1.00 0.00 C ATOM 1217 OG SER A 82 -12.438 30.094 -9.959 1.00 0.00 O ATOM 0 H SER A 82 -11.012 29.578 -12.360 1.00 0.00 H new ATOM 0 HA SER A 82 -13.737 29.235 -11.979 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.787 31.472 -11.342 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.477 31.601 -10.898 1.00 0.00 H new ATOM 0 HG SER A 82 -12.194 30.671 -9.205 1.00 0.00 H new ATOM 1223 N SER A 83 -14.783 30.285 -13.994 1.00 0.00 N ATOM 1224 CA SER A 83 -15.548 30.984 -15.020 1.00 0.00 C ATOM 1225 C SER A 83 -17.031 31.019 -14.662 1.00 0.00 C ATOM 1226 O SER A 83 -17.465 30.379 -13.705 1.00 0.00 O ATOM 1227 CB SER A 83 -15.356 30.309 -16.379 1.00 0.00 C ATOM 1228 OG SER A 83 -15.969 29.032 -16.405 1.00 0.00 O ATOM 0 H SER A 83 -15.086 29.327 -13.821 1.00 0.00 H new ATOM 0 HA SER A 83 -15.181 32.009 -15.077 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.781 30.936 -17.163 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.292 30.209 -16.592 1.00 0.00 H new ATOM 0 HG SER A 83 -15.834 28.622 -17.285 1.00 0.00 H new ATOM 1234 N GLY A 84 -17.803 31.773 -15.438 1.00 0.00 N ATOM 1235 CA GLY A 84 -19.229 31.878 -15.188 1.00 0.00 C ATOM 1236 C GLY A 84 -19.946 30.553 -15.352 1.00 0.00 C ATOM 1237 O GLY A 84 -20.972 30.474 -16.027 1.00 0.00 O ATOM 0 H GLY A 84 -17.467 32.313 -16.235 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.391 32.252 -14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -19.662 32.609 -15.871 1.00 0.00 H new TER 1241 GLY A 84