USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 SER OG : rot 180:sc= 0.167 USER MOD Set 1.2: A 49 HIS : no HD1:sc= 0.064 K(o=0.23,f=-1.3) USER MOD Set 2.1: A 31 CYS SG : rot 180:sc= 1.08 USER MOD Set 2.2: A 40 HIS : no HE2:sc= 1.06 K(o=3.6,f=-3.1!) USER MOD Set 2.3: A 63 TYR OH : rot 25:sc= 1.44 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.29 (180deg=0.939) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.017) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 160:sc= -0.142 (180deg=-0.727) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -38:sc= 0.236 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -78:sc= -0.422! USER MOD Single : A 56 CYS SG : rot 180:sc= 0.756 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 113:sc= -3.8! USER MOD Single : A 65 HIS : no HD1:sc= 0.498 K(o=0.5,f=-3.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 1.41 (180deg=1.1) USER MOD Single : A 75 HIS : no HE2:sc= -0.85! C(o=-0.85!,f=-5.1!) USER MOD Single : A 76 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3.3!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc=-0.00761 X(o=-0.0076,f=-0.19) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.687 18.288 2.280 1.00 0.00 N ATOM 2 CA MET A 1 -32.317 19.544 2.746 1.00 0.00 C ATOM 3 C MET A 1 -32.022 20.681 1.780 1.00 0.00 C ATOM 4 O MET A 1 -32.876 21.069 0.985 1.00 0.00 O ATOM 5 CB MET A 1 -31.835 19.925 4.154 1.00 0.00 C ATOM 6 CG MET A 1 -32.408 19.055 5.263 1.00 0.00 C ATOM 7 SD MET A 1 -31.871 17.340 5.165 1.00 0.00 S ATOM 8 CE MET A 1 -32.728 16.645 6.573 1.00 0.00 C ATOM 0 H1 MET A 1 -31.569 17.639 3.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.292 17.842 1.561 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.756 18.499 1.866 1.00 0.00 H new ATOM 0 HA MET A 1 -33.393 19.374 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.747 19.863 4.183 1.00 0.00 H new ATOM 0 HB3 MET A 1 -32.100 20.964 4.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 -32.114 19.467 6.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 -33.497 19.092 5.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.498 15.582 6.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 -32.406 17.153 7.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 -33.803 16.775 6.445 1.00 0.00 H new ATOM 20 N ARG A 2 -30.801 21.199 1.838 1.00 0.00 N ATOM 21 CA ARG A 2 -30.414 22.357 1.042 1.00 0.00 C ATOM 22 C ARG A 2 -30.159 21.966 -0.408 1.00 0.00 C ATOM 23 O ARG A 2 -29.185 21.276 -0.715 1.00 0.00 O ATOM 24 CB ARG A 2 -29.168 22.999 1.654 1.00 0.00 C ATOM 25 CG ARG A 2 -28.785 24.341 1.052 1.00 0.00 C ATOM 26 CD ARG A 2 -27.808 25.069 1.958 1.00 0.00 C ATOM 27 NE ARG A 2 -28.343 25.190 3.313 1.00 0.00 N ATOM 28 CZ ARG A 2 -27.654 24.918 4.419 1.00 0.00 C ATOM 29 NH1 ARG A 2 -26.372 24.594 4.351 1.00 0.00 N ATOM 30 NH2 ARG A 2 -28.257 24.962 5.597 1.00 0.00 N ATOM 0 H ARG A 2 -30.058 20.832 2.432 1.00 0.00 H new ATOM 0 HA ARG A 2 -31.232 23.078 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -29.331 23.129 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -28.329 22.312 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -28.337 24.191 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -29.678 24.949 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -26.860 24.531 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -27.601 26.060 1.555 1.00 0.00 H new ATOM 0 HE ARG A 2 -29.308 25.504 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -25.904 24.551 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -25.852 24.387 5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -29.246 25.204 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -27.732 24.754 6.447 1.00 0.00 H new ATOM 44 N ARG A 3 -31.047 22.397 -1.293 1.00 0.00 N ATOM 45 CA ARG A 3 -30.942 22.064 -2.705 1.00 0.00 C ATOM 46 C ARG A 3 -30.980 23.326 -3.563 1.00 0.00 C ATOM 47 O ARG A 3 -32.051 23.874 -3.825 1.00 0.00 O ATOM 48 CB ARG A 3 -32.085 21.131 -3.117 1.00 0.00 C ATOM 49 CG ARG A 3 -31.930 20.548 -4.515 1.00 0.00 C ATOM 50 CD ARG A 3 -31.135 19.246 -4.504 1.00 0.00 C ATOM 51 NE ARG A 3 -29.805 19.397 -3.907 1.00 0.00 N ATOM 52 CZ ARG A 3 -29.188 18.433 -3.219 1.00 0.00 C ATOM 53 NH1 ARG A 3 -29.788 17.265 -3.023 1.00 0.00 N ATOM 54 NH2 ARG A 3 -27.976 18.638 -2.709 1.00 0.00 N ATOM 0 H ARG A 3 -31.850 22.980 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 3 -29.989 21.559 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -32.152 20.314 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -33.026 21.679 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -32.916 20.368 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -31.430 21.273 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -31.693 18.490 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -31.030 18.881 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 3 -29.324 20.289 -4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -30.722 17.102 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -29.315 16.530 -2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -27.512 19.536 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -27.511 17.897 -2.185 1.00 0.00 H new ATOM 68 N GLN A 4 -29.805 23.785 -3.986 1.00 0.00 N ATOM 69 CA GLN A 4 -29.692 24.962 -4.846 1.00 0.00 C ATOM 70 C GLN A 4 -28.241 25.157 -5.283 1.00 0.00 C ATOM 71 O GLN A 4 -27.464 25.827 -4.604 1.00 0.00 O ATOM 72 CB GLN A 4 -30.192 26.220 -4.122 1.00 0.00 C ATOM 73 CG GLN A 4 -30.259 27.458 -5.007 1.00 0.00 C ATOM 74 CD GLN A 4 -30.574 28.718 -4.225 1.00 0.00 C ATOM 75 OE1 GLN A 4 -31.737 29.092 -4.054 1.00 0.00 O ATOM 76 NE2 GLN A 4 -29.538 29.380 -3.734 1.00 0.00 N ATOM 0 H GLN A 4 -28.911 23.357 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 4 -30.314 24.800 -5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -31.184 26.023 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -29.536 26.425 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -29.307 27.583 -5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -31.020 27.311 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -28.591 29.039 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -29.687 30.232 -3.193 1.00 0.00 H new ATOM 85 N PRO A 5 -27.846 24.547 -6.410 1.00 0.00 N ATOM 86 CA PRO A 5 -26.493 24.666 -6.934 1.00 0.00 C ATOM 87 C PRO A 5 -26.320 25.892 -7.833 1.00 0.00 C ATOM 88 O PRO A 5 -27.038 26.061 -8.818 1.00 0.00 O ATOM 89 CB PRO A 5 -26.327 23.377 -7.738 1.00 0.00 C ATOM 90 CG PRO A 5 -27.708 23.017 -8.196 1.00 0.00 C ATOM 91 CD PRO A 5 -28.687 23.689 -7.262 1.00 0.00 C ATOM 0 HA PRO A 5 -25.752 24.796 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.658 23.525 -8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -25.896 22.584 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -27.869 23.347 -9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -27.846 21.936 -8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -29.424 24.274 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -29.238 22.958 -6.670 1.00 0.00 H new ATOM 99 N LYS A 6 -25.359 26.741 -7.493 1.00 0.00 N ATOM 100 CA LYS A 6 -25.105 27.951 -8.269 1.00 0.00 C ATOM 101 C LYS A 6 -24.076 27.676 -9.363 1.00 0.00 C ATOM 102 O LYS A 6 -23.837 28.510 -10.239 1.00 0.00 O ATOM 103 CB LYS A 6 -24.628 29.101 -7.368 1.00 0.00 C ATOM 104 CG LYS A 6 -23.325 28.825 -6.630 1.00 0.00 C ATOM 105 CD LYS A 6 -22.732 30.100 -6.049 1.00 0.00 C ATOM 106 CE LYS A 6 -23.575 30.667 -4.912 1.00 0.00 C ATOM 107 NZ LYS A 6 -23.473 29.847 -3.674 1.00 0.00 N ATOM 0 H LYS A 6 -24.744 26.616 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 6 -26.044 28.253 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.503 29.996 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -25.406 29.320 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.504 28.108 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.609 28.368 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.725 29.896 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.640 30.847 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -23.255 31.687 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.617 30.720 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.993 30.314 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.881 28.906 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.473 29.747 -3.405 1.00 0.00 H new ATOM 121 N THR A 7 -23.467 26.503 -9.299 1.00 0.00 N ATOM 122 CA THR A 7 -22.507 26.075 -10.299 1.00 0.00 C ATOM 123 C THR A 7 -22.803 24.637 -10.719 1.00 0.00 C ATOM 124 O THR A 7 -22.956 23.755 -9.874 1.00 0.00 O ATOM 125 CB THR A 7 -21.065 26.174 -9.758 1.00 0.00 C ATOM 126 OG1 THR A 7 -20.829 27.495 -9.247 1.00 0.00 O ATOM 127 CG2 THR A 7 -20.047 25.863 -10.847 1.00 0.00 C ATOM 0 H THR A 7 -23.625 25.824 -8.554 1.00 0.00 H new ATOM 0 HA THR A 7 -22.596 26.733 -11.163 1.00 0.00 H new ATOM 0 HB THR A 7 -20.951 25.441 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.913 27.554 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.040 25.941 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 7 -20.210 24.852 -11.219 1.00 0.00 H new ATOM 0 HG23 THR A 7 -20.161 26.574 -11.665 1.00 0.00 H new ATOM 135 N ARG A 8 -22.900 24.407 -12.018 1.00 0.00 N ATOM 136 CA ARG A 8 -23.215 23.082 -12.528 1.00 0.00 C ATOM 137 C ARG A 8 -21.950 22.397 -13.020 1.00 0.00 C ATOM 138 O ARG A 8 -21.185 22.971 -13.792 1.00 0.00 O ATOM 139 CB ARG A 8 -24.236 23.167 -13.667 1.00 0.00 C ATOM 140 CG ARG A 8 -25.502 23.933 -13.311 1.00 0.00 C ATOM 141 CD ARG A 8 -26.515 23.889 -14.444 1.00 0.00 C ATOM 142 NE ARG A 8 -27.043 22.543 -14.648 1.00 0.00 N ATOM 143 CZ ARG A 8 -27.870 22.200 -15.631 1.00 0.00 C ATOM 144 NH1 ARG A 8 -28.236 23.090 -16.545 1.00 0.00 N ATOM 145 NH2 ARG A 8 -28.322 20.958 -15.704 1.00 0.00 N ATOM 0 H ARG A 8 -22.766 25.118 -12.737 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.648 22.497 -11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.766 23.643 -14.527 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.509 22.157 -13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.944 23.509 -12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.251 24.969 -13.086 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.336 24.572 -14.224 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.047 24.239 -15.364 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.758 21.816 -13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.882 24.046 -16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.871 22.818 -17.296 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.036 20.269 -15.008 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.957 20.690 -16.456 1.00 0.00 H new ATOM 159 N GLN A 9 -21.726 21.178 -12.558 1.00 0.00 N ATOM 160 CA GLN A 9 -20.560 20.406 -12.959 1.00 0.00 C ATOM 161 C GLN A 9 -20.962 18.970 -13.263 1.00 0.00 C ATOM 162 O GLN A 9 -22.129 18.604 -13.095 1.00 0.00 O ATOM 163 CB GLN A 9 -19.493 20.437 -11.862 1.00 0.00 C ATOM 164 CG GLN A 9 -18.866 21.809 -11.654 1.00 0.00 C ATOM 165 CD GLN A 9 -17.878 21.826 -10.510 1.00 0.00 C ATOM 166 OE1 GLN A 9 -17.255 20.811 -10.203 1.00 0.00 O ATOM 167 NE2 GLN A 9 -17.717 22.975 -9.877 1.00 0.00 N ATOM 0 H GLN A 9 -22.341 20.698 -11.900 1.00 0.00 H new ATOM 0 HA GLN A 9 -20.141 20.853 -13.861 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.939 20.106 -10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.708 19.723 -12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.362 22.117 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.652 22.539 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.253 23.794 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.056 23.043 -9.103 1.00 0.00 H new ATOM 176 N GLU A 10 -19.998 18.174 -13.727 1.00 0.00 N ATOM 177 CA GLU A 10 -20.227 16.770 -14.062 1.00 0.00 C ATOM 178 C GLU A 10 -21.257 16.644 -15.185 1.00 0.00 C ATOM 179 O GLU A 10 -22.060 15.708 -15.215 1.00 0.00 O ATOM 180 CB GLU A 10 -20.673 15.981 -12.825 1.00 0.00 C ATOM 181 CG GLU A 10 -19.643 15.979 -11.705 1.00 0.00 C ATOM 182 CD GLU A 10 -20.116 15.233 -10.471 1.00 0.00 C ATOM 183 OE1 GLU A 10 -20.734 15.865 -9.590 1.00 0.00 O ATOM 184 OE2 GLU A 10 -19.879 14.016 -10.380 1.00 0.00 O ATOM 0 H GLU A 10 -19.039 18.485 -13.881 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.286 16.346 -14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.605 16.404 -12.450 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.884 14.952 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.721 15.525 -12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.407 17.008 -11.433 1.00 0.00 H new ATOM 191 N SER A 11 -21.222 17.594 -16.111 1.00 0.00 N ATOM 192 CA SER A 11 -22.115 17.578 -17.259 1.00 0.00 C ATOM 193 C SER A 11 -21.532 16.694 -18.359 1.00 0.00 C ATOM 194 O SER A 11 -20.314 16.703 -18.584 1.00 0.00 O ATOM 195 CB SER A 11 -22.342 19.006 -17.767 1.00 0.00 C ATOM 196 OG SER A 11 -22.858 19.828 -16.732 1.00 0.00 O ATOM 0 H SER A 11 -20.582 18.388 -16.088 1.00 0.00 H new ATOM 0 HA SER A 11 -23.078 17.165 -16.961 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.403 19.421 -18.134 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.035 18.993 -18.608 1.00 0.00 H new ATOM 0 HG SER A 11 -22.995 20.736 -17.073 1.00 0.00 H new ATOM 202 N ALA A 12 -22.403 15.919 -19.013 1.00 0.00 N ATOM 203 CA ALA A 12 -22.009 14.957 -20.051 1.00 0.00 C ATOM 204 C ALA A 12 -21.324 13.739 -19.431 1.00 0.00 C ATOM 205 O ALA A 12 -21.762 12.604 -19.620 1.00 0.00 O ATOM 206 CB ALA A 12 -21.129 15.599 -21.120 1.00 0.00 C ATOM 0 H ALA A 12 -23.407 15.940 -18.837 1.00 0.00 H new ATOM 0 HA ALA A 12 -22.920 14.621 -20.547 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.861 14.852 -21.867 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.674 16.413 -21.599 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.223 15.991 -20.658 1.00 0.00 H new ATOM 212 N ARG A 13 -20.250 13.973 -18.693 1.00 0.00 N ATOM 213 CA ARG A 13 -19.601 12.915 -17.941 1.00 0.00 C ATOM 214 C ARG A 13 -20.083 12.972 -16.500 1.00 0.00 C ATOM 215 O ARG A 13 -19.570 13.745 -15.693 1.00 0.00 O ATOM 216 CB ARG A 13 -18.076 13.039 -18.002 1.00 0.00 C ATOM 217 CG ARG A 13 -17.520 13.050 -19.419 1.00 0.00 C ATOM 218 CD ARG A 13 -16.018 12.799 -19.440 1.00 0.00 C ATOM 219 NE ARG A 13 -15.266 13.781 -18.646 1.00 0.00 N ATOM 220 CZ ARG A 13 -13.974 13.646 -18.321 1.00 0.00 C ATOM 221 NH1 ARG A 13 -13.281 12.611 -18.781 1.00 0.00 N ATOM 222 NH2 ARG A 13 -13.369 14.559 -17.561 1.00 0.00 N ATOM 0 H ARG A 13 -19.810 14.889 -18.600 1.00 0.00 H new ATOM 0 HA ARG A 13 -19.864 11.954 -18.383 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.774 13.956 -17.495 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.630 12.210 -17.453 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.024 12.288 -20.013 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.734 14.011 -19.886 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.816 11.798 -19.058 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.664 12.824 -20.471 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.757 14.615 -18.323 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.733 11.921 -19.381 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.297 12.506 -18.535 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.891 15.368 -17.223 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.385 14.449 -17.318 1.00 0.00 H new ATOM 236 N MET A 14 -21.090 12.166 -16.195 1.00 0.00 N ATOM 237 CA MET A 14 -21.743 12.210 -14.892 1.00 0.00 C ATOM 238 C MET A 14 -20.888 11.550 -13.827 1.00 0.00 C ATOM 239 O MET A 14 -20.957 11.926 -12.658 1.00 0.00 O ATOM 240 CB MET A 14 -23.110 11.530 -14.949 1.00 0.00 C ATOM 241 CG MET A 14 -24.089 12.213 -15.889 1.00 0.00 C ATOM 242 SD MET A 14 -25.686 11.377 -15.968 1.00 0.00 S ATOM 243 CE MET A 14 -26.197 11.456 -14.254 1.00 0.00 C ATOM 0 H MET A 14 -21.475 11.471 -16.834 1.00 0.00 H new ATOM 0 HA MET A 14 -21.878 13.259 -14.628 1.00 0.00 H new ATOM 0 HB2 MET A 14 -22.979 10.495 -15.264 1.00 0.00 H new ATOM 0 HB3 MET A 14 -23.537 11.507 -13.947 1.00 0.00 H new ATOM 0 HG2 MET A 14 -24.239 13.242 -15.564 1.00 0.00 H new ATOM 0 HG3 MET A 14 -23.656 12.254 -16.889 1.00 0.00 H new ATOM 0 HE1 MET A 14 -27.276 11.316 -14.189 1.00 0.00 H new ATOM 0 HE2 MET A 14 -25.695 10.672 -13.688 1.00 0.00 H new ATOM 0 HE3 MET A 14 -25.932 12.429 -13.840 1.00 0.00 H new ATOM 253 N SER A 15 -20.100 10.560 -14.247 1.00 0.00 N ATOM 254 CA SER A 15 -19.175 9.847 -13.365 1.00 0.00 C ATOM 255 C SER A 15 -19.915 8.983 -12.335 1.00 0.00 C ATOM 256 O SER A 15 -20.862 9.426 -11.682 1.00 0.00 O ATOM 257 CB SER A 15 -18.231 10.831 -12.662 1.00 0.00 C ATOM 258 OG SER A 15 -17.566 11.660 -13.604 1.00 0.00 O ATOM 0 H SER A 15 -20.085 10.229 -15.212 1.00 0.00 H new ATOM 0 HA SER A 15 -18.584 9.177 -13.989 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.797 11.449 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.496 10.279 -12.075 1.00 0.00 H new ATOM 0 HG SER A 15 -16.971 12.280 -13.132 1.00 0.00 H new ATOM 264 N ILE A 16 -19.483 7.736 -12.210 1.00 0.00 N ATOM 265 CA ILE A 16 -20.057 6.818 -11.250 1.00 0.00 C ATOM 266 C ILE A 16 -19.050 6.470 -10.156 1.00 0.00 C ATOM 267 O ILE A 16 -17.840 6.546 -10.371 1.00 0.00 O ATOM 268 CB ILE A 16 -20.545 5.526 -11.940 1.00 0.00 C ATOM 269 CG1 ILE A 16 -19.730 5.208 -13.209 1.00 0.00 C ATOM 270 CG2 ILE A 16 -22.025 5.621 -12.269 1.00 0.00 C ATOM 271 CD1 ILE A 16 -18.320 4.721 -12.940 1.00 0.00 C ATOM 0 H ILE A 16 -18.729 7.339 -12.770 1.00 0.00 H new ATOM 0 HA ILE A 16 -20.913 7.316 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 16 -20.392 4.706 -11.238 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.260 4.450 -13.786 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.680 6.103 -13.829 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -22.350 4.701 -12.755 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -22.593 5.766 -11.350 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -22.196 6.464 -12.938 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -17.818 4.521 -13.886 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -17.770 5.485 -12.391 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -18.358 3.806 -12.348 1.00 0.00 H new ATOM 283 N GLU A 17 -19.550 6.100 -8.986 1.00 0.00 N ATOM 284 CA GLU A 17 -18.681 5.706 -7.887 1.00 0.00 C ATOM 285 C GLU A 17 -18.249 4.258 -8.072 1.00 0.00 C ATOM 286 O GLU A 17 -19.013 3.334 -7.802 1.00 0.00 O ATOM 287 CB GLU A 17 -19.387 5.881 -6.540 1.00 0.00 C ATOM 288 CG GLU A 17 -19.986 7.266 -6.345 1.00 0.00 C ATOM 289 CD GLU A 17 -20.357 7.552 -4.902 1.00 0.00 C ATOM 290 OE1 GLU A 17 -21.207 6.826 -4.339 1.00 0.00 O ATOM 291 OE2 GLU A 17 -19.777 8.490 -4.317 1.00 0.00 O ATOM 0 H GLU A 17 -20.547 6.064 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.801 6.349 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.178 5.136 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.676 5.685 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.273 8.016 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.874 7.363 -6.969 1.00 0.00 H new ATOM 298 N ALA A 18 -17.037 4.073 -8.568 1.00 0.00 N ATOM 299 CA ALA A 18 -16.539 2.746 -8.901 1.00 0.00 C ATOM 300 C ALA A 18 -16.056 1.991 -7.667 1.00 0.00 C ATOM 301 O ALA A 18 -15.326 2.537 -6.838 1.00 0.00 O ATOM 302 CB ALA A 18 -15.420 2.851 -9.928 1.00 0.00 C ATOM 0 H ALA A 18 -16.376 4.828 -8.750 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.368 2.179 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.054 1.853 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.799 3.328 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.605 3.447 -9.518 1.00 0.00 H new ATOM 308 N PRO A 19 -16.477 0.726 -7.525 1.00 0.00 N ATOM 309 CA PRO A 19 -15.973 -0.158 -6.480 1.00 0.00 C ATOM 310 C PRO A 19 -14.599 -0.713 -6.841 1.00 0.00 C ATOM 311 O PRO A 19 -14.139 -0.537 -7.972 1.00 0.00 O ATOM 312 CB PRO A 19 -17.013 -1.274 -6.439 1.00 0.00 C ATOM 313 CG PRO A 19 -17.527 -1.346 -7.833 1.00 0.00 C ATOM 314 CD PRO A 19 -17.494 0.064 -8.365 1.00 0.00 C ATOM 0 HA PRO A 19 -15.843 0.347 -5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.570 -2.220 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.811 -1.049 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.910 -2.007 -8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.540 -1.747 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.221 0.089 -9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -18.466 0.549 -8.276 1.00 0.00 H new ATOM 322 N GLU A 20 -13.957 -1.381 -5.878 1.00 0.00 N ATOM 323 CA GLU A 20 -12.599 -1.904 -6.054 1.00 0.00 C ATOM 324 C GLU A 20 -11.614 -0.730 -6.142 1.00 0.00 C ATOM 325 O GLU A 20 -12.038 0.425 -6.158 1.00 0.00 O ATOM 326 CB GLU A 20 -12.524 -2.796 -7.307 1.00 0.00 C ATOM 327 CG GLU A 20 -11.717 -4.077 -7.125 1.00 0.00 C ATOM 328 CD GLU A 20 -10.221 -3.857 -7.201 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.668 -3.907 -8.319 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.593 -3.629 -6.149 1.00 0.00 O ATOM 0 H GLU A 20 -14.360 -1.573 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.330 -2.522 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.537 -3.060 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.087 -2.219 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.964 -4.520 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.011 -4.796 -7.890 1.00 0.00 H new ATOM 337 N THR A 21 -10.316 -1.026 -6.194 1.00 0.00 N ATOM 338 CA THR A 21 -9.286 -0.003 -6.207 1.00 0.00 C ATOM 339 C THR A 21 -9.243 0.756 -4.871 1.00 0.00 C ATOM 340 O THR A 21 -10.271 1.026 -4.247 1.00 0.00 O ATOM 341 CB THR A 21 -9.521 0.944 -7.391 1.00 0.00 C ATOM 342 OG1 THR A 21 -9.228 0.262 -8.618 1.00 0.00 O ATOM 343 CG2 THR A 21 -8.694 2.220 -7.299 1.00 0.00 C ATOM 0 H THR A 21 -9.956 -1.980 -6.228 1.00 0.00 H new ATOM 0 HA THR A 21 -8.312 -0.477 -6.331 1.00 0.00 H new ATOM 0 HB THR A 21 -10.569 1.241 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.380 0.868 -9.373 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.901 2.851 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.954 2.757 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.634 1.966 -7.281 1.00 0.00 H new ATOM 351 N VAL A 22 -8.046 1.087 -4.423 1.00 0.00 N ATOM 352 CA VAL A 22 -7.881 1.689 -3.111 1.00 0.00 C ATOM 353 C VAL A 22 -7.685 3.195 -3.215 1.00 0.00 C ATOM 354 O VAL A 22 -6.622 3.669 -3.619 1.00 0.00 O ATOM 355 CB VAL A 22 -6.704 1.059 -2.340 1.00 0.00 C ATOM 356 CG1 VAL A 22 -6.603 1.641 -0.942 1.00 0.00 C ATOM 357 CG2 VAL A 22 -6.867 -0.450 -2.271 1.00 0.00 C ATOM 0 H VAL A 22 -7.179 0.951 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.798 1.493 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.782 1.289 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.766 1.182 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.445 2.717 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.526 1.442 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.029 -0.882 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.798 -0.692 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.891 -0.860 -3.281 1.00 0.00 H new ATOM 367 N VAL A 23 -8.735 3.933 -2.886 1.00 0.00 N ATOM 368 CA VAL A 23 -8.662 5.385 -2.782 1.00 0.00 C ATOM 369 C VAL A 23 -8.529 5.772 -1.316 1.00 0.00 C ATOM 370 O VAL A 23 -9.348 5.370 -0.488 1.00 0.00 O ATOM 371 CB VAL A 23 -9.909 6.068 -3.382 1.00 0.00 C ATOM 372 CG1 VAL A 23 -9.813 7.583 -3.246 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.093 5.668 -4.842 1.00 0.00 C ATOM 0 H VAL A 23 -9.657 3.546 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.794 5.722 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.783 5.731 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.702 8.044 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.739 7.850 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.929 7.940 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.978 6.161 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.216 5.970 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.217 4.587 -4.910 1.00 0.00 H new ATOM 383 N VAL A 24 -7.499 6.537 -0.995 1.00 0.00 N ATOM 384 CA VAL A 24 -7.176 6.833 0.391 1.00 0.00 C ATOM 385 C VAL A 24 -6.725 8.274 0.575 1.00 0.00 C ATOM 386 O VAL A 24 -6.371 8.960 -0.381 1.00 0.00 O ATOM 387 CB VAL A 24 -6.069 5.897 0.925 1.00 0.00 C ATOM 388 CG1 VAL A 24 -6.613 4.499 1.182 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.901 5.840 -0.048 1.00 0.00 C ATOM 0 H VAL A 24 -6.872 6.965 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.094 6.673 0.956 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.714 6.303 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.813 3.861 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.413 4.550 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.003 4.084 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.132 5.176 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.247 5.464 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.486 6.840 -0.177 1.00 0.00 H new ATOM 399 N SER A 25 -6.745 8.721 1.819 1.00 0.00 N ATOM 400 CA SER A 25 -6.240 10.034 2.179 1.00 0.00 C ATOM 401 C SER A 25 -4.841 9.878 2.756 1.00 0.00 C ATOM 402 O SER A 25 -4.182 10.852 3.131 1.00 0.00 O ATOM 403 CB SER A 25 -7.178 10.690 3.197 1.00 0.00 C ATOM 404 OG SER A 25 -6.826 12.040 3.443 1.00 0.00 O ATOM 0 H SER A 25 -7.111 8.185 2.606 1.00 0.00 H new ATOM 0 HA SER A 25 -6.195 10.674 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.203 10.643 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.148 10.130 4.132 1.00 0.00 H new ATOM 0 HG SER A 25 -5.850 12.128 3.446 1.00 0.00 H new ATOM 410 N THR A 26 -4.403 8.631 2.817 1.00 0.00 N ATOM 411 CA THR A 26 -3.100 8.289 3.351 1.00 0.00 C ATOM 412 C THR A 26 -2.101 8.097 2.212 1.00 0.00 C ATOM 413 O THR A 26 -2.411 7.445 1.217 1.00 0.00 O ATOM 414 CB THR A 26 -3.192 6.999 4.186 1.00 0.00 C ATOM 415 OG1 THR A 26 -4.370 7.038 5.009 1.00 0.00 O ATOM 416 CG2 THR A 26 -1.963 6.829 5.068 1.00 0.00 C ATOM 0 H THR A 26 -4.944 7.828 2.496 1.00 0.00 H new ATOM 0 HA THR A 26 -2.759 9.103 3.991 1.00 0.00 H new ATOM 0 HB THR A 26 -3.246 6.153 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.427 6.215 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.055 5.910 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.071 6.777 4.443 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.882 7.678 5.746 1.00 0.00 H new ATOM 424 N TRP A 27 -0.918 8.680 2.348 1.00 0.00 N ATOM 425 CA TRP A 27 0.099 8.591 1.309 1.00 0.00 C ATOM 426 C TRP A 27 0.808 7.243 1.339 1.00 0.00 C ATOM 427 O TRP A 27 1.173 6.701 0.297 1.00 0.00 O ATOM 428 CB TRP A 27 1.122 9.715 1.461 1.00 0.00 C ATOM 429 CG TRP A 27 0.543 11.086 1.286 1.00 0.00 C ATOM 430 CD1 TRP A 27 0.306 12.005 2.264 1.00 0.00 C ATOM 431 CD2 TRP A 27 0.129 11.691 0.056 1.00 0.00 C ATOM 432 NE1 TRP A 27 -0.217 13.149 1.718 1.00 0.00 N ATOM 433 CE2 TRP A 27 -0.340 12.980 0.364 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.113 11.271 -1.275 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -0.819 13.851 -0.613 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.364 12.134 -2.243 1.00 0.00 C ATOM 437 CH2 TRP A 27 -0.824 13.413 -1.907 1.00 0.00 C ATOM 0 H TRP A 27 -0.639 9.220 3.167 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.405 8.692 0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.579 9.647 2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.918 9.571 0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.502 11.854 3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.473 13.990 2.236 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.468 10.287 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.174 14.838 -0.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.382 11.817 -3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.190 14.066 -2.686 1.00 0.00 H new ATOM 448 N LYS A 28 1.013 6.709 2.534 1.00 0.00 N ATOM 449 CA LYS A 28 1.678 5.426 2.679 1.00 0.00 C ATOM 450 C LYS A 28 0.678 4.284 2.580 1.00 0.00 C ATOM 451 O LYS A 28 -0.216 4.146 3.414 1.00 0.00 O ATOM 452 CB LYS A 28 2.453 5.358 3.998 1.00 0.00 C ATOM 453 CG LYS A 28 1.637 5.734 5.230 1.00 0.00 C ATOM 454 CD LYS A 28 2.479 5.674 6.495 1.00 0.00 C ATOM 455 CE LYS A 28 3.683 6.598 6.412 1.00 0.00 C ATOM 456 NZ LYS A 28 4.522 6.528 7.636 1.00 0.00 N ATOM 0 H LYS A 28 0.729 7.143 3.412 1.00 0.00 H new ATOM 0 HA LYS A 28 2.392 5.323 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.838 4.346 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.316 6.021 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.233 6.739 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.787 5.058 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.867 5.950 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.816 4.651 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.285 6.332 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.344 7.623 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.332 7.173 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.955 6.807 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.867 5.555 7.765 1.00 0.00 H new ATOM 470 N VAL A 29 0.831 3.478 1.543 1.00 0.00 N ATOM 471 CA VAL A 29 -0.041 2.343 1.316 1.00 0.00 C ATOM 472 C VAL A 29 0.743 1.037 1.341 1.00 0.00 C ATOM 473 O VAL A 29 1.832 0.935 0.772 1.00 0.00 O ATOM 474 CB VAL A 29 -0.793 2.466 -0.029 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.830 3.577 0.037 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.174 2.724 -1.173 1.00 0.00 C ATOM 0 H VAL A 29 1.560 3.593 0.839 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.772 2.337 2.125 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.301 1.520 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.349 3.648 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.550 3.356 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.335 4.524 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.381 2.806 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.715 3.652 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.883 1.899 -1.244 1.00 0.00 H new ATOM 486 N ALA A 30 0.196 0.048 2.025 1.00 0.00 N ATOM 487 CA ALA A 30 0.810 -1.263 2.084 1.00 0.00 C ATOM 488 C ALA A 30 0.271 -2.150 0.968 1.00 0.00 C ATOM 489 O ALA A 30 -0.870 -2.605 1.018 1.00 0.00 O ATOM 490 CB ALA A 30 0.570 -1.906 3.441 1.00 0.00 C ATOM 0 H ALA A 30 -0.675 0.130 2.549 1.00 0.00 H new ATOM 0 HA ALA A 30 1.885 -1.148 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.039 -2.890 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.001 -1.279 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.502 -2.011 3.610 1.00 0.00 H new ATOM 496 N CYS A 31 1.088 -2.376 -0.045 1.00 0.00 N ATOM 497 CA CYS A 31 0.678 -3.183 -1.181 1.00 0.00 C ATOM 498 C CYS A 31 0.946 -4.655 -0.896 1.00 0.00 C ATOM 499 O CYS A 31 1.899 -4.993 -0.190 1.00 0.00 O ATOM 500 CB CYS A 31 1.413 -2.734 -2.443 1.00 0.00 C ATOM 501 SG CYS A 31 0.769 -3.440 -3.978 1.00 0.00 S ATOM 0 H CYS A 31 2.039 -2.012 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.391 -3.050 -1.344 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.364 -1.647 -2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.466 -3.000 -2.349 1.00 0.00 H new ATOM 0 HG CYS A 31 1.460 -2.994 -4.984 1.00 0.00 H new ATOM 507 N ASP A 32 0.113 -5.517 -1.457 1.00 0.00 N ATOM 508 CA ASP A 32 0.173 -6.944 -1.176 1.00 0.00 C ATOM 509 C ASP A 32 -0.612 -7.706 -2.238 1.00 0.00 C ATOM 510 O ASP A 32 -1.731 -8.163 -2.009 1.00 0.00 O ATOM 511 CB ASP A 32 -0.380 -7.243 0.226 1.00 0.00 C ATOM 512 CG ASP A 32 -0.211 -8.695 0.640 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.876 -9.054 1.136 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.173 -9.479 0.492 1.00 0.00 O ATOM 0 H ASP A 32 -0.619 -5.251 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 32 1.213 -7.269 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.123 -6.604 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.439 -6.985 0.254 1.00 0.00 H new ATOM 519 N GLY A 33 -0.048 -7.763 -3.434 1.00 0.00 N ATOM 520 CA GLY A 33 -0.683 -8.484 -4.519 1.00 0.00 C ATOM 521 C GLY A 33 -1.297 -7.552 -5.538 1.00 0.00 C ATOM 522 O GLY A 33 -1.068 -6.343 -5.493 1.00 0.00 O ATOM 0 H GLY A 33 0.840 -7.322 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.052 -9.122 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.455 -9.139 -4.116 1.00 0.00 H new ATOM 526 N GLY A 34 -2.071 -8.108 -6.460 1.00 0.00 N ATOM 527 CA GLY A 34 -2.686 -7.296 -7.486 1.00 0.00 C ATOM 528 C GLY A 34 -3.594 -8.094 -8.394 1.00 0.00 C ATOM 529 O GLY A 34 -4.038 -9.182 -8.028 1.00 0.00 O ATOM 0 H GLY A 34 -2.282 -9.104 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.260 -6.497 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.908 -6.821 -8.083 1.00 0.00 H new ATOM 533 N GLU A 35 -3.865 -7.552 -9.576 1.00 0.00 N ATOM 534 CA GLU A 35 -4.715 -8.218 -10.553 1.00 0.00 C ATOM 535 C GLU A 35 -3.966 -9.371 -11.211 1.00 0.00 C ATOM 536 O GLU A 35 -2.733 -9.364 -11.282 1.00 0.00 O ATOM 537 CB GLU A 35 -5.184 -7.229 -11.622 1.00 0.00 C ATOM 538 CG GLU A 35 -6.041 -6.095 -11.082 1.00 0.00 C ATOM 539 CD GLU A 35 -6.437 -5.106 -12.157 1.00 0.00 C ATOM 540 OE1 GLU A 35 -7.460 -5.330 -12.839 1.00 0.00 O ATOM 541 OE2 GLU A 35 -5.713 -4.103 -12.339 1.00 0.00 O ATOM 0 H GLU A 35 -3.505 -6.648 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.587 -8.612 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.311 -6.806 -12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.751 -7.770 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.940 -6.509 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.495 -5.573 -10.296 1.00 0.00 H new ATOM 548 N GLY A 36 -4.713 -10.352 -11.695 1.00 0.00 N ATOM 549 CA GLY A 36 -4.109 -11.503 -12.338 1.00 0.00 C ATOM 550 C GLY A 36 -3.409 -12.398 -11.339 1.00 0.00 C ATOM 551 O GLY A 36 -3.996 -12.792 -10.329 1.00 0.00 O ATOM 0 H GLY A 36 -5.732 -10.372 -11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.877 -12.072 -12.861 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.394 -11.167 -13.089 1.00 0.00 H new ATOM 555 N ALA A 37 -2.155 -12.710 -11.612 1.00 0.00 N ATOM 556 CA ALA A 37 -1.361 -13.537 -10.716 1.00 0.00 C ATOM 557 C ALA A 37 -0.204 -12.740 -10.133 1.00 0.00 C ATOM 558 O ALA A 37 0.720 -13.306 -9.551 1.00 0.00 O ATOM 559 CB ALA A 37 -0.841 -14.762 -11.459 1.00 0.00 C ATOM 0 H ALA A 37 -1.661 -12.403 -12.450 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.996 -13.867 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.248 -15.375 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.683 -15.345 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.220 -14.443 -12.296 1.00 0.00 H new ATOM 565 N LEU A 38 -0.269 -11.420 -10.275 1.00 0.00 N ATOM 566 CA LEU A 38 0.814 -10.549 -9.834 1.00 0.00 C ATOM 567 C LEU A 38 0.787 -10.355 -8.322 1.00 0.00 C ATOM 568 O LEU A 38 0.429 -9.284 -7.824 1.00 0.00 O ATOM 569 CB LEU A 38 0.738 -9.189 -10.537 1.00 0.00 C ATOM 570 CG LEU A 38 0.926 -9.227 -12.054 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.887 -7.818 -12.628 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.235 -9.916 -12.414 1.00 0.00 C ATOM 0 H LEU A 38 -1.061 -10.930 -10.692 1.00 0.00 H new ATOM 0 HA LEU A 38 1.753 -11.033 -10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.230 -8.739 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.497 -8.534 -10.109 1.00 0.00 H new ATOM 0 HG LEU A 38 0.108 -9.800 -12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.022 -7.862 -13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.075 -7.359 -12.401 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.686 -7.223 -12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.351 -9.933 -13.498 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.067 -9.371 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.225 -10.937 -12.034 1.00 0.00 H new ATOM 584 N GLY A 39 1.145 -11.403 -7.600 1.00 0.00 N ATOM 585 CA GLY A 39 1.222 -11.324 -6.161 1.00 0.00 C ATOM 586 C GLY A 39 2.647 -11.145 -5.688 1.00 0.00 C ATOM 587 O GLY A 39 3.586 -11.594 -6.351 1.00 0.00 O ATOM 0 H GLY A 39 1.385 -12.314 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.614 -10.491 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.804 -12.231 -5.724 1.00 0.00 H new ATOM 591 N HIS A 40 2.808 -10.490 -4.550 1.00 0.00 N ATOM 592 CA HIS A 40 4.121 -10.235 -3.980 1.00 0.00 C ATOM 593 C HIS A 40 3.989 -9.971 -2.486 1.00 0.00 C ATOM 594 O HIS A 40 2.887 -9.685 -2.012 1.00 0.00 O ATOM 595 CB HIS A 40 4.791 -9.037 -4.676 1.00 0.00 C ATOM 596 CG HIS A 40 4.019 -7.751 -4.585 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.987 -6.946 -3.467 1.00 0.00 N ATOM 598 CD2 HIS A 40 3.246 -7.130 -5.512 1.00 0.00 C ATOM 599 CE1 HIS A 40 3.214 -5.891 -3.740 1.00 0.00 C ATOM 600 NE2 HIS A 40 2.738 -5.953 -4.968 1.00 0.00 N ATOM 0 H HIS A 40 2.035 -10.121 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 40 4.748 -11.113 -4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.778 -8.885 -4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.942 -9.282 -5.727 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.469 -7.124 -2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.055 -7.491 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.006 -5.091 -3.045 1.00 0.00 H new ATOM 608 N PRO A 41 5.094 -10.081 -1.722 1.00 0.00 N ATOM 609 CA PRO A 41 5.102 -9.759 -0.289 1.00 0.00 C ATOM 610 C PRO A 41 4.666 -8.323 -0.026 1.00 0.00 C ATOM 611 O PRO A 41 4.717 -7.477 -0.921 1.00 0.00 O ATOM 612 CB PRO A 41 6.564 -9.955 0.130 1.00 0.00 C ATOM 613 CG PRO A 41 7.342 -9.985 -1.141 1.00 0.00 C ATOM 614 CD PRO A 41 6.414 -10.543 -2.181 1.00 0.00 C ATOM 0 HA PRO A 41 4.406 -10.386 0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.899 -9.144 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.691 -10.882 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.680 -8.986 -1.415 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.232 -10.606 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.650 -10.168 -3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.468 -11.631 -2.229 1.00 0.00 H new ATOM 622 N ARG A 42 4.232 -8.054 1.197 1.00 0.00 N ATOM 623 CA ARG A 42 3.740 -6.732 1.555 1.00 0.00 C ATOM 624 C ARG A 42 4.857 -5.693 1.486 1.00 0.00 C ATOM 625 O ARG A 42 5.929 -5.868 2.062 1.00 0.00 O ATOM 626 CB ARG A 42 3.100 -6.762 2.949 1.00 0.00 C ATOM 627 CG ARG A 42 2.515 -5.427 3.396 1.00 0.00 C ATOM 628 CD ARG A 42 3.552 -4.564 4.098 1.00 0.00 C ATOM 629 NE ARG A 42 4.062 -5.204 5.307 1.00 0.00 N ATOM 630 CZ ARG A 42 5.355 -5.313 5.607 1.00 0.00 C ATOM 631 NH1 ARG A 42 6.285 -4.906 4.744 1.00 0.00 N ATOM 632 NH2 ARG A 42 5.713 -5.845 6.767 1.00 0.00 N ATOM 0 H ARG A 42 4.211 -8.733 1.958 1.00 0.00 H new ATOM 0 HA ARG A 42 2.977 -6.442 0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.310 -7.513 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.850 -7.079 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.124 -4.893 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.675 -5.605 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.379 -4.363 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.110 -3.601 4.355 1.00 0.00 H new ATOM 0 HE ARG A 42 3.385 -5.592 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.009 -4.508 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.273 -4.993 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.000 -6.167 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.701 -5.932 7.005 1.00 0.00 H new ATOM 646 N VAL A 43 4.587 -4.606 0.781 1.00 0.00 N ATOM 647 CA VAL A 43 5.560 -3.533 0.617 1.00 0.00 C ATOM 648 C VAL A 43 4.935 -2.206 1.024 1.00 0.00 C ATOM 649 O VAL A 43 3.712 -2.061 1.007 1.00 0.00 O ATOM 650 CB VAL A 43 6.066 -3.418 -0.842 1.00 0.00 C ATOM 651 CG1 VAL A 43 7.330 -2.576 -0.917 1.00 0.00 C ATOM 652 CG2 VAL A 43 6.310 -4.786 -1.457 1.00 0.00 C ATOM 0 H VAL A 43 3.697 -4.441 0.310 1.00 0.00 H new ATOM 0 HA VAL A 43 6.412 -3.771 1.254 1.00 0.00 H new ATOM 0 HB VAL A 43 5.283 -2.923 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.663 -2.512 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.123 -1.575 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.111 -3.037 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.664 -4.667 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.061 -5.319 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.380 -5.355 -1.459 1.00 0.00 H new ATOM 662 N TRP A 44 5.770 -1.250 1.385 1.00 0.00 N ATOM 663 CA TRP A 44 5.306 0.059 1.788 1.00 0.00 C ATOM 664 C TRP A 44 5.554 1.067 0.677 1.00 0.00 C ATOM 665 O TRP A 44 6.702 1.381 0.359 1.00 0.00 O ATOM 666 CB TRP A 44 6.031 0.510 3.049 1.00 0.00 C ATOM 667 CG TRP A 44 5.704 -0.308 4.257 1.00 0.00 C ATOM 668 CD1 TRP A 44 6.475 -1.283 4.813 1.00 0.00 C ATOM 669 CD2 TRP A 44 4.517 -0.226 5.059 1.00 0.00 C ATOM 670 NE1 TRP A 44 5.851 -1.805 5.916 1.00 0.00 N ATOM 671 CE2 TRP A 44 4.648 -1.174 6.090 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.364 0.562 5.013 1.00 0.00 C ATOM 673 CZ2 TRP A 44 3.666 -1.360 7.059 1.00 0.00 C ATOM 674 CZ3 TRP A 44 2.391 0.376 5.976 1.00 0.00 C ATOM 675 CH2 TRP A 44 2.550 -0.574 6.991 1.00 0.00 C ATOM 0 H TRP A 44 6.784 -1.360 1.406 1.00 0.00 H new ATOM 0 HA TRP A 44 4.237 -0.001 1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.106 0.469 2.874 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.780 1.552 3.248 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.438 -1.599 4.439 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.223 -2.545 6.512 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.236 1.303 4.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.782 -2.100 7.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.492 0.974 5.945 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.776 -0.688 7.735 1.00 0.00 H new ATOM 686 N LEU A 45 4.486 1.560 0.075 1.00 0.00 N ATOM 687 CA LEU A 45 4.614 2.530 -0.988 1.00 0.00 C ATOM 688 C LEU A 45 4.172 3.907 -0.521 1.00 0.00 C ATOM 689 O LEU A 45 3.356 4.036 0.391 1.00 0.00 O ATOM 690 CB LEU A 45 3.786 2.108 -2.194 1.00 0.00 C ATOM 691 CG LEU A 45 4.055 0.694 -2.718 1.00 0.00 C ATOM 692 CD1 LEU A 45 3.126 0.374 -3.879 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.507 0.553 -3.143 1.00 0.00 C ATOM 0 H LEU A 45 3.526 1.303 0.306 1.00 0.00 H new ATOM 0 HA LEU A 45 5.665 2.578 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.731 2.185 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.967 2.816 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 45 3.861 -0.017 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.329 -0.634 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.091 0.438 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.292 1.089 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.681 -0.457 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.726 1.271 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.156 0.744 -2.289 1.00 0.00 H new ATOM 705 N SER A 46 4.716 4.923 -1.155 1.00 0.00 N ATOM 706 CA SER A 46 4.363 6.296 -0.851 1.00 0.00 C ATOM 707 C SER A 46 3.808 6.957 -2.104 1.00 0.00 C ATOM 708 O SER A 46 4.548 7.227 -3.053 1.00 0.00 O ATOM 709 CB SER A 46 5.585 7.062 -0.326 1.00 0.00 C ATOM 710 OG SER A 46 5.229 8.347 0.172 1.00 0.00 O ATOM 0 H SER A 46 5.413 4.823 -1.893 1.00 0.00 H new ATOM 0 HA SER A 46 3.602 6.311 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.063 6.485 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.316 7.172 -1.127 1.00 0.00 H new ATOM 0 HG SER A 46 6.031 8.805 0.499 1.00 0.00 H new ATOM 716 N ILE A 47 2.497 7.169 -2.110 1.00 0.00 N ATOM 717 CA ILE A 47 1.807 7.755 -3.251 1.00 0.00 C ATOM 718 C ILE A 47 2.443 9.083 -3.651 1.00 0.00 C ATOM 719 O ILE A 47 2.576 9.985 -2.823 1.00 0.00 O ATOM 720 CB ILE A 47 0.303 7.972 -2.951 1.00 0.00 C ATOM 721 CG1 ILE A 47 -0.370 6.636 -2.622 1.00 0.00 C ATOM 722 CG2 ILE A 47 -0.396 8.642 -4.128 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.837 6.756 -2.263 1.00 0.00 C ATOM 0 H ILE A 47 1.885 6.940 -1.327 1.00 0.00 H new ATOM 0 HA ILE A 47 1.900 7.051 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 47 0.219 8.631 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.270 5.970 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.160 6.169 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.451 8.783 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.065 9.610 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.303 8.012 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.240 5.767 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.946 7.395 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.382 7.192 -3.100 1.00 0.00 H new ATOM 735 N PRO A 48 2.880 9.192 -4.923 1.00 0.00 N ATOM 736 CA PRO A 48 3.469 10.414 -5.468 1.00 0.00 C ATOM 737 C PRO A 48 2.681 11.661 -5.079 1.00 0.00 C ATOM 738 O PRO A 48 1.510 11.820 -5.439 1.00 0.00 O ATOM 739 CB PRO A 48 3.425 10.174 -6.971 1.00 0.00 C ATOM 740 CG PRO A 48 3.556 8.702 -7.112 1.00 0.00 C ATOM 741 CD PRO A 48 2.845 8.111 -5.928 1.00 0.00 C ATOM 0 HA PRO A 48 4.473 10.600 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.491 10.533 -7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.235 10.696 -7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.112 8.358 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.604 8.403 -7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.822 7.828 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.346 7.213 -5.567 1.00 0.00 H new ATOM 749 N HIS A 49 3.356 12.546 -4.362 1.00 0.00 N ATOM 750 CA HIS A 49 2.709 13.659 -3.675 1.00 0.00 C ATOM 751 C HIS A 49 2.425 14.823 -4.615 1.00 0.00 C ATOM 752 O HIS A 49 1.773 15.792 -4.230 1.00 0.00 O ATOM 753 CB HIS A 49 3.583 14.141 -2.506 1.00 0.00 C ATOM 754 CG HIS A 49 3.816 13.103 -1.446 1.00 0.00 C ATOM 755 ND1 HIS A 49 3.334 13.215 -0.159 1.00 0.00 N ATOM 756 CD2 HIS A 49 4.500 11.933 -1.485 1.00 0.00 C ATOM 757 CE1 HIS A 49 3.709 12.161 0.544 1.00 0.00 C ATOM 758 NE2 HIS A 49 4.417 11.367 -0.238 1.00 0.00 N ATOM 0 H HIS A 49 4.368 12.515 -4.238 1.00 0.00 H new ATOM 0 HA HIS A 49 1.754 13.294 -3.296 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.546 14.468 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.112 15.012 -2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.015 11.522 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.476 11.980 1.583 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.834 10.478 0.039 1.00 0.00 H new ATOM 767 N GLU A 50 2.913 14.737 -5.843 1.00 0.00 N ATOM 768 CA GLU A 50 2.718 15.817 -6.805 1.00 0.00 C ATOM 769 C GLU A 50 1.606 15.471 -7.797 1.00 0.00 C ATOM 770 O GLU A 50 0.958 16.356 -8.357 1.00 0.00 O ATOM 771 CB GLU A 50 4.033 16.145 -7.540 1.00 0.00 C ATOM 772 CG GLU A 50 4.499 15.094 -8.546 1.00 0.00 C ATOM 773 CD GLU A 50 4.718 13.727 -7.931 1.00 0.00 C ATOM 774 OE1 GLU A 50 5.734 13.533 -7.231 1.00 0.00 O ATOM 775 OE2 GLU A 50 3.869 12.840 -8.143 1.00 0.00 O ATOM 0 H GLU A 50 3.442 13.940 -6.197 1.00 0.00 H new ATOM 0 HA GLU A 50 2.411 16.707 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.911 17.094 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.819 16.287 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.760 15.011 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.428 15.430 -9.007 1.00 0.00 H new ATOM 782 N THR A 51 1.374 14.184 -8.002 1.00 0.00 N ATOM 783 CA THR A 51 0.347 13.739 -8.928 1.00 0.00 C ATOM 784 C THR A 51 -0.938 13.350 -8.198 1.00 0.00 C ATOM 785 O THR A 51 -2.014 13.844 -8.529 1.00 0.00 O ATOM 786 CB THR A 51 0.847 12.562 -9.783 1.00 0.00 C ATOM 787 OG1 THR A 51 1.602 11.658 -8.967 1.00 0.00 O ATOM 788 CG2 THR A 51 1.708 13.053 -10.938 1.00 0.00 C ATOM 0 H THR A 51 1.883 13.431 -7.540 1.00 0.00 H new ATOM 0 HA THR A 51 0.122 14.578 -9.586 1.00 0.00 H new ATOM 0 HB THR A 51 -0.020 12.046 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.499 12.024 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.048 12.201 -11.526 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.122 13.720 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.571 13.591 -10.545 1.00 0.00 H new ATOM 796 N GLY A 52 -0.827 12.478 -7.201 1.00 0.00 N ATOM 797 CA GLY A 52 -1.999 12.088 -6.433 1.00 0.00 C ATOM 798 C GLY A 52 -2.428 10.656 -6.691 1.00 0.00 C ATOM 799 O GLY A 52 -3.484 10.223 -6.231 1.00 0.00 O ATOM 0 H GLY A 52 0.046 12.036 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.788 12.212 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.824 12.758 -6.675 1.00 0.00 H new ATOM 803 N PHE A 53 -1.615 9.919 -7.431 1.00 0.00 N ATOM 804 CA PHE A 53 -1.884 8.512 -7.695 1.00 0.00 C ATOM 805 C PHE A 53 -0.567 7.770 -7.863 1.00 0.00 C ATOM 806 O PHE A 53 0.404 8.331 -8.370 1.00 0.00 O ATOM 807 CB PHE A 53 -2.768 8.338 -8.942 1.00 0.00 C ATOM 808 CG PHE A 53 -2.137 8.805 -10.222 1.00 0.00 C ATOM 809 CD1 PHE A 53 -2.145 10.147 -10.567 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.544 7.896 -11.085 1.00 0.00 C ATOM 811 CE1 PHE A 53 -1.575 10.573 -11.748 1.00 0.00 C ATOM 812 CE2 PHE A 53 -0.971 8.319 -12.266 1.00 0.00 C ATOM 813 CZ PHE A 53 -0.986 9.659 -12.597 1.00 0.00 C ATOM 0 H PHE A 53 -0.760 10.272 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.429 8.094 -6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.028 7.284 -9.043 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.699 8.883 -8.791 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.602 10.867 -9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.531 6.847 -10.830 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.590 11.621 -12.008 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.511 7.603 -12.931 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.537 9.992 -13.521 1.00 0.00 H new ATOM 823 N VAL A 54 -0.518 6.524 -7.420 1.00 0.00 N ATOM 824 CA VAL A 54 0.715 5.754 -7.496 1.00 0.00 C ATOM 825 C VAL A 54 0.595 4.586 -8.468 1.00 0.00 C ATOM 826 O VAL A 54 -0.368 3.816 -8.433 1.00 0.00 O ATOM 827 CB VAL A 54 1.159 5.234 -6.105 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.088 4.371 -5.470 1.00 0.00 C ATOM 829 CG2 VAL A 54 2.476 4.470 -6.201 1.00 0.00 C ATOM 0 H VAL A 54 -1.308 6.028 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 54 1.478 6.438 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 54 1.313 6.103 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.431 4.023 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.824 4.955 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.115 3.513 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.764 4.116 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.354 3.618 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.252 5.129 -6.591 1.00 0.00 H new ATOM 839 N GLU A 55 1.571 4.487 -9.354 1.00 0.00 N ATOM 840 CA GLU A 55 1.694 3.350 -10.250 1.00 0.00 C ATOM 841 C GLU A 55 2.824 2.455 -9.753 1.00 0.00 C ATOM 842 O GLU A 55 3.991 2.842 -9.804 1.00 0.00 O ATOM 843 CB GLU A 55 1.984 3.836 -11.672 1.00 0.00 C ATOM 844 CG GLU A 55 0.966 4.843 -12.184 1.00 0.00 C ATOM 845 CD GLU A 55 1.421 5.541 -13.445 1.00 0.00 C ATOM 846 OE1 GLU A 55 2.276 6.447 -13.350 1.00 0.00 O ATOM 847 OE2 GLU A 55 0.928 5.188 -14.540 1.00 0.00 O ATOM 0 H GLU A 55 2.299 5.191 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 55 0.762 2.785 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.976 4.287 -11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.006 2.978 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.022 4.334 -12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.776 5.587 -11.410 1.00 0.00 H new ATOM 854 N CYS A 56 2.470 1.282 -9.237 1.00 0.00 N ATOM 855 CA CYS A 56 3.449 0.381 -8.634 1.00 0.00 C ATOM 856 C CYS A 56 4.479 -0.085 -9.658 1.00 0.00 C ATOM 857 O CYS A 56 4.136 -0.441 -10.786 1.00 0.00 O ATOM 858 CB CYS A 56 2.748 -0.829 -8.006 1.00 0.00 C ATOM 859 SG CYS A 56 3.865 -2.014 -7.214 1.00 0.00 S ATOM 0 H CYS A 56 1.512 0.932 -9.224 1.00 0.00 H new ATOM 0 HA CYS A 56 3.972 0.934 -7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.031 -0.474 -7.266 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.179 -1.345 -8.779 1.00 0.00 H new ATOM 0 HG CYS A 56 3.174 -2.995 -6.714 1.00 0.00 H new ATOM 865 N GLY A 57 5.741 -0.093 -9.249 1.00 0.00 N ATOM 866 CA GLY A 57 6.809 -0.535 -10.123 1.00 0.00 C ATOM 867 C GLY A 57 7.077 -2.021 -9.982 1.00 0.00 C ATOM 868 O GLY A 57 8.222 -2.468 -10.064 1.00 0.00 O ATOM 0 H GLY A 57 6.045 0.201 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.548 -0.310 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.718 0.021 -9.895 1.00 0.00 H new ATOM 872 N TYR A 58 6.016 -2.779 -9.750 1.00 0.00 N ATOM 873 CA TYR A 58 6.102 -4.226 -9.628 1.00 0.00 C ATOM 874 C TYR A 58 4.790 -4.838 -10.095 1.00 0.00 C ATOM 875 O TYR A 58 4.753 -5.602 -11.059 1.00 0.00 O ATOM 876 CB TYR A 58 6.386 -4.640 -8.178 1.00 0.00 C ATOM 877 CG TYR A 58 6.766 -6.101 -8.022 1.00 0.00 C ATOM 878 CD1 TYR A 58 5.804 -7.105 -8.090 1.00 0.00 C ATOM 879 CD2 TYR A 58 8.088 -6.475 -7.814 1.00 0.00 C ATOM 880 CE1 TYR A 58 6.152 -8.437 -7.957 1.00 0.00 C ATOM 881 CE2 TYR A 58 8.442 -7.804 -7.680 1.00 0.00 C ATOM 882 CZ TYR A 58 7.471 -8.780 -7.753 1.00 0.00 C ATOM 883 OH TYR A 58 7.822 -10.106 -7.619 1.00 0.00 O ATOM 0 H TYR A 58 5.072 -2.409 -9.641 1.00 0.00 H new ATOM 0 HA TYR A 58 6.924 -4.586 -10.246 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.192 -4.021 -7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.503 -4.437 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.769 -6.840 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.852 -5.714 -7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.394 -9.204 -8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 58 9.474 -8.077 -7.519 1.00 0.00 H new ATOM 0 HH TYR A 58 8.790 -10.176 -7.482 1.00 0.00 H new ATOM 893 N CYS A 59 3.715 -4.487 -9.407 1.00 0.00 N ATOM 894 CA CYS A 59 2.393 -4.978 -9.754 1.00 0.00 C ATOM 895 C CYS A 59 1.614 -3.891 -10.489 1.00 0.00 C ATOM 896 O CYS A 59 2.102 -2.774 -10.653 1.00 0.00 O ATOM 897 CB CYS A 59 1.647 -5.415 -8.490 1.00 0.00 C ATOM 898 SG CYS A 59 0.121 -6.328 -8.811 1.00 0.00 S ATOM 0 H CYS A 59 3.734 -3.861 -8.602 1.00 0.00 H new ATOM 0 HA CYS A 59 2.492 -5.842 -10.412 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.309 -6.036 -7.887 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.411 -4.532 -7.897 1.00 0.00 H new ATOM 0 HG CYS A 59 0.262 -7.560 -8.421 1.00 0.00 H new ATOM 904 N ASP A 60 0.402 -4.208 -10.913 1.00 0.00 N ATOM 905 CA ASP A 60 -0.399 -3.282 -11.675 1.00 0.00 C ATOM 906 C ASP A 60 -1.596 -2.835 -10.851 1.00 0.00 C ATOM 907 O ASP A 60 -2.751 -3.046 -11.218 1.00 0.00 O ATOM 908 CB ASP A 60 -0.848 -3.910 -12.999 1.00 0.00 C ATOM 909 CG ASP A 60 -1.396 -2.889 -13.981 1.00 0.00 C ATOM 910 OD1 ASP A 60 -2.615 -2.620 -13.961 1.00 0.00 O ATOM 911 OD2 ASP A 60 -0.610 -2.372 -14.801 1.00 0.00 O ATOM 0 H ASP A 60 -0.046 -5.108 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 60 0.207 -2.408 -11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.004 -4.428 -13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.612 -4.661 -12.799 1.00 0.00 H new ATOM 916 N ARG A 61 -1.306 -2.270 -9.697 1.00 0.00 N ATOM 917 CA ARG A 61 -2.330 -1.727 -8.829 1.00 0.00 C ATOM 918 C ARG A 61 -2.208 -0.210 -8.751 1.00 0.00 C ATOM 919 O ARG A 61 -1.140 0.320 -8.440 1.00 0.00 O ATOM 920 CB ARG A 61 -2.199 -2.336 -7.433 1.00 0.00 C ATOM 921 CG ARG A 61 -2.613 -3.798 -7.345 1.00 0.00 C ATOM 922 CD ARG A 61 -4.077 -3.964 -6.955 1.00 0.00 C ATOM 923 NE ARG A 61 -5.006 -3.466 -7.974 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.336 -3.503 -7.847 1.00 0.00 C ATOM 925 NH1 ARG A 61 -6.890 -4.029 -6.762 1.00 0.00 N ATOM 926 NH2 ARG A 61 -7.109 -3.025 -8.814 1.00 0.00 N ATOM 0 H ARG A 61 -0.357 -2.175 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.309 -1.976 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.164 -2.244 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.807 -1.756 -6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.439 -4.281 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.985 -4.307 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.280 -5.019 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.259 -3.437 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.615 -3.069 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.300 -4.407 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.905 -4.055 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.688 -2.629 -9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.124 -3.053 -8.717 1.00 0.00 H new ATOM 940 N ARG A 62 -3.292 0.483 -9.063 1.00 0.00 N ATOM 941 CA ARG A 62 -3.316 1.934 -8.985 1.00 0.00 C ATOM 942 C ARG A 62 -4.051 2.403 -7.737 1.00 0.00 C ATOM 943 O ARG A 62 -5.242 2.144 -7.564 1.00 0.00 O ATOM 944 CB ARG A 62 -3.957 2.544 -10.234 1.00 0.00 C ATOM 945 CG ARG A 62 -2.954 2.875 -11.325 1.00 0.00 C ATOM 946 CD ARG A 62 -3.643 3.398 -12.579 1.00 0.00 C ATOM 947 NE ARG A 62 -2.692 3.984 -13.521 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.027 4.841 -14.490 1.00 0.00 C ATOM 949 NH1 ARG A 62 -4.305 5.119 -14.734 1.00 0.00 N ATOM 950 NH2 ARG A 62 -2.081 5.399 -15.235 1.00 0.00 N ATOM 0 H ARG A 62 -4.168 0.062 -9.373 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.282 2.275 -8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.697 1.849 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.490 3.452 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.249 3.621 -10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.376 1.984 -11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.179 2.583 -13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.385 4.146 -12.300 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.710 3.722 -13.433 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.038 4.677 -14.179 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.552 5.774 -15.476 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.100 5.173 -15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.334 6.053 -15.975 1.00 0.00 H new ATOM 964 N TYR A 63 -3.325 3.072 -6.861 1.00 0.00 N ATOM 965 CA TYR A 63 -3.905 3.642 -5.654 1.00 0.00 C ATOM 966 C TYR A 63 -4.076 5.140 -5.849 1.00 0.00 C ATOM 967 O TYR A 63 -3.148 5.819 -6.292 1.00 0.00 O ATOM 968 CB TYR A 63 -3.016 3.364 -4.436 1.00 0.00 C ATOM 969 CG TYR A 63 -2.745 1.893 -4.189 1.00 0.00 C ATOM 970 CD1 TYR A 63 -1.834 1.191 -4.968 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.400 1.207 -3.176 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.581 -0.148 -4.741 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.151 -0.134 -2.944 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.245 -0.808 -3.732 1.00 0.00 C ATOM 975 OH TYR A 63 -1.996 -2.142 -3.508 1.00 0.00 O ATOM 0 H TYR A 63 -2.323 3.236 -6.962 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.875 3.180 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.065 3.880 -4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.489 3.789 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.314 1.701 -5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.116 1.729 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.864 -0.675 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.666 -0.651 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.102 -2.368 -3.840 1.00 0.00 H new ATOM 985 N ILE A 64 -5.258 5.649 -5.536 1.00 0.00 N ATOM 986 CA ILE A 64 -5.571 7.046 -5.787 1.00 0.00 C ATOM 987 C ILE A 64 -5.765 7.798 -4.476 1.00 0.00 C ATOM 988 O ILE A 64 -6.352 7.273 -3.527 1.00 0.00 O ATOM 989 CB ILE A 64 -6.846 7.188 -6.655 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.689 6.413 -7.967 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.143 8.656 -6.939 1.00 0.00 C ATOM 992 CD1 ILE A 64 -7.913 6.470 -8.857 1.00 0.00 C ATOM 0 H ILE A 64 -6.015 5.116 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.729 7.477 -6.329 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.686 6.768 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.834 6.811 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.465 5.371 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.042 8.734 -7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.297 9.185 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.303 9.101 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.728 5.899 -9.767 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.767 6.045 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.126 7.507 -9.116 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.252 9.015 -4.418 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.438 9.858 -3.251 1.00 0.00 C ATOM 1006 C HIS A 65 -6.762 10.610 -3.368 1.00 0.00 C ATOM 1007 O HIS A 65 -7.161 11.008 -4.463 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.275 10.840 -3.105 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.252 11.550 -1.787 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -4.841 12.780 -1.624 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -3.706 11.159 -0.610 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -4.641 13.109 -0.358 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -3.958 12.159 0.294 1.00 0.00 N ATOM 0 H HIS A 65 -4.704 9.441 -5.165 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.463 9.230 -2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.337 10.301 -3.234 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.331 11.578 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.175 10.238 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.985 14.028 0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.679 12.176 1.275 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.425 10.805 -2.234 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.743 11.427 -2.188 1.00 0.00 C ATOM 1023 C GLU A 66 -8.778 12.802 -2.865 1.00 0.00 C ATOM 1024 O GLU A 66 -9.812 13.210 -3.395 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.217 11.518 -0.733 1.00 0.00 C ATOM 1026 CG GLU A 66 -8.253 12.229 0.213 1.00 0.00 C ATOM 1027 CD GLU A 66 -8.468 13.733 0.278 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -9.607 14.160 0.557 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -7.493 14.494 0.087 1.00 0.00 O ATOM 0 H GLU A 66 -7.063 10.536 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.425 10.795 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.175 12.037 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.392 10.509 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.363 11.810 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.230 12.029 -0.106 1.00 0.00 H new ATOM 1036 N SER A 67 -7.655 13.503 -2.867 1.00 0.00 N ATOM 1037 CA SER A 67 -7.607 14.830 -3.454 1.00 0.00 C ATOM 1038 C SER A 67 -7.671 14.759 -4.973 1.00 0.00 C ATOM 1039 O SER A 67 -8.213 15.654 -5.623 1.00 0.00 O ATOM 1040 CB SER A 67 -6.341 15.563 -3.009 1.00 0.00 C ATOM 1041 OG SER A 67 -6.311 16.894 -3.501 1.00 0.00 O ATOM 0 H SER A 67 -6.773 13.178 -2.472 1.00 0.00 H new ATOM 0 HA SER A 67 -8.477 15.386 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.290 15.575 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.463 15.023 -3.363 1.00 0.00 H new ATOM 0 HG SER A 67 -5.491 17.336 -3.198 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.145 13.683 -5.533 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.135 13.515 -6.975 1.00 0.00 C ATOM 1049 C PHE A 68 -8.498 13.029 -7.454 1.00 0.00 C ATOM 1050 O PHE A 68 -8.912 13.318 -8.578 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.036 12.528 -7.387 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.782 12.481 -8.869 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -5.104 13.514 -9.500 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -6.216 11.406 -9.630 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -4.865 13.476 -10.861 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -5.979 11.362 -10.991 1.00 0.00 C ATOM 1057 CZ PHE A 68 -5.303 12.399 -11.607 1.00 0.00 C ATOM 0 H PHE A 68 -6.721 12.915 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.925 14.478 -7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.110 12.797 -6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.310 11.530 -7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.759 14.358 -8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.745 10.594 -9.154 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.337 14.287 -11.340 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.321 10.519 -11.573 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.118 12.367 -12.670 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.200 12.332 -6.562 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.487 11.710 -6.872 1.00 0.00 C ATOM 1069 C ALA A 69 -10.956 10.857 -5.701 1.00 0.00 C ATOM 1070 O ALA A 69 -10.519 9.719 -5.541 1.00 0.00 O ATOM 1071 CB ALA A 69 -10.401 10.847 -8.127 1.00 0.00 C ATOM 0 H ALA A 69 -8.892 12.182 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.205 12.510 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.374 10.400 -8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.103 11.465 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.664 10.058 -7.976 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.820 11.420 -4.871 1.00 0.00 N ATOM 1078 CA ALA A 70 -12.349 10.704 -3.716 1.00 0.00 C ATOM 1079 C ALA A 70 -13.603 9.910 -4.078 1.00 0.00 C ATOM 1080 O ALA A 70 -13.581 8.679 -4.121 1.00 0.00 O ATOM 1081 CB ALA A 70 -12.648 11.674 -2.580 1.00 0.00 C ATOM 0 H ALA A 70 -12.172 12.372 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.588 9.997 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.042 11.124 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.732 12.188 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.385 12.406 -2.911 1.00 0.00 H new ATOM 1087 N ALA A 71 -14.690 10.624 -4.344 1.00 0.00 N ATOM 1088 CA ALA A 71 -15.970 10.003 -4.652 1.00 0.00 C ATOM 1089 C ALA A 71 -16.914 11.032 -5.254 1.00 0.00 C ATOM 1090 O ALA A 71 -16.514 12.168 -5.524 1.00 0.00 O ATOM 1091 CB ALA A 71 -16.582 9.388 -3.401 1.00 0.00 C ATOM 0 H ALA A 71 -14.708 11.644 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 71 -15.807 9.207 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.538 8.929 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -15.909 8.629 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -16.738 10.165 -2.653 1.00 0.00 H new ATOM 1097 N LYS A 72 -18.163 10.635 -5.461 1.00 0.00 N ATOM 1098 CA LYS A 72 -19.169 11.535 -6.007 1.00 0.00 C ATOM 1099 C LYS A 72 -20.013 12.101 -4.872 1.00 0.00 C ATOM 1100 O LYS A 72 -20.382 13.275 -4.874 1.00 0.00 O ATOM 1101 CB LYS A 72 -20.052 10.792 -7.016 1.00 0.00 C ATOM 1102 CG LYS A 72 -21.033 11.689 -7.751 1.00 0.00 C ATOM 1103 CD LYS A 72 -21.904 10.886 -8.702 1.00 0.00 C ATOM 1104 CE LYS A 72 -22.858 11.783 -9.472 1.00 0.00 C ATOM 1105 NZ LYS A 72 -22.137 12.735 -10.356 1.00 0.00 N ATOM 0 H LYS A 72 -18.503 9.695 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 72 -18.676 12.357 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -19.413 10.294 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -20.608 10.013 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -21.662 12.212 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -20.487 12.450 -8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -21.272 10.339 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -22.473 10.146 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -23.529 11.168 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -23.479 12.340 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -22.810 13.426 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -21.407 13.234 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -21.688 12.213 -11.135 1.00 0.00 H new ATOM 1119 N LEU A 73 -20.311 11.251 -3.903 1.00 0.00 N ATOM 1120 CA LEU A 73 -21.030 11.656 -2.711 1.00 0.00 C ATOM 1121 C LEU A 73 -20.076 11.684 -1.524 1.00 0.00 C ATOM 1122 O LEU A 73 -18.855 11.711 -1.702 1.00 0.00 O ATOM 1123 CB LEU A 73 -22.185 10.686 -2.442 1.00 0.00 C ATOM 1124 CG LEU A 73 -23.278 10.665 -3.513 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -24.354 9.652 -3.155 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -23.887 12.051 -3.683 1.00 0.00 C ATOM 0 H LEU A 73 -20.061 10.262 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 73 -21.441 12.654 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -21.778 9.680 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.640 10.944 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 73 -22.826 10.369 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -25.123 9.650 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -23.910 8.659 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -24.801 9.919 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -24.662 12.016 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -24.324 12.375 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -23.111 12.755 -3.984 1.00 0.00 H new ATOM 1138 N GLU A 74 -20.626 11.693 -0.319 1.00 0.00 N ATOM 1139 CA GLU A 74 -19.809 11.622 0.885 1.00 0.00 C ATOM 1140 C GLU A 74 -19.197 10.228 1.011 1.00 0.00 C ATOM 1141 O GLU A 74 -18.035 10.084 1.391 1.00 0.00 O ATOM 1142 CB GLU A 74 -20.636 11.994 2.124 1.00 0.00 C ATOM 1143 CG GLU A 74 -21.884 11.147 2.331 1.00 0.00 C ATOM 1144 CD GLU A 74 -22.798 11.707 3.409 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -22.324 11.945 4.540 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -23.992 11.917 3.127 1.00 0.00 O ATOM 0 H GLU A 74 -21.630 11.748 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.996 12.345 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.003 11.906 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.932 13.040 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.434 11.081 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.590 10.133 2.600 1.00 0.00 H new ATOM 1153 N HIS A 75 -20.005 9.214 0.685 1.00 0.00 N ATOM 1154 CA HIS A 75 -19.557 7.822 0.549 1.00 0.00 C ATOM 1155 C HIS A 75 -18.718 7.353 1.743 1.00 0.00 C ATOM 1156 O HIS A 75 -17.761 6.594 1.583 1.00 0.00 O ATOM 1157 CB HIS A 75 -18.771 7.652 -0.762 1.00 0.00 C ATOM 1158 CG HIS A 75 -18.811 6.256 -1.319 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -19.580 5.900 -2.405 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -18.168 5.126 -0.937 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -19.413 4.616 -2.661 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -18.561 4.124 -1.785 1.00 0.00 N ATOM 0 H HIS A 75 -21.002 9.337 0.506 1.00 0.00 H new ATOM 0 HA HIS A 75 -20.448 7.194 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -19.171 8.341 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.732 7.935 -0.591 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -20.185 6.531 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -17.473 5.032 -0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -19.893 4.063 -3.454 1.00 0.00 H new ATOM 1171 N HIS A 76 -19.080 7.791 2.938 1.00 0.00 N ATOM 1172 CA HIS A 76 -18.418 7.312 4.143 1.00 0.00 C ATOM 1173 C HIS A 76 -19.408 6.568 5.018 1.00 0.00 C ATOM 1174 O HIS A 76 -20.559 6.978 5.156 1.00 0.00 O ATOM 1175 CB HIS A 76 -17.723 8.448 4.923 1.00 0.00 C ATOM 1176 CG HIS A 76 -18.564 9.668 5.202 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -18.039 10.941 5.239 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -19.885 9.810 5.464 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -18.996 11.806 5.507 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -20.132 11.149 5.647 1.00 0.00 N ATOM 0 H HIS A 76 -19.822 8.472 3.100 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.630 6.623 3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -17.372 8.047 5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.841 8.759 4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.613 9.014 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.872 12.875 5.597 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.040 11.565 5.856 1.00 0.00 H new ATOM 1189 N HIS A 77 -18.970 5.455 5.578 1.00 0.00 N ATOM 1190 CA HIS A 77 -19.836 4.628 6.395 1.00 0.00 C ATOM 1191 C HIS A 77 -20.035 5.256 7.769 1.00 0.00 C ATOM 1192 O HIS A 77 -19.093 5.367 8.557 1.00 0.00 O ATOM 1193 CB HIS A 77 -19.249 3.222 6.534 1.00 0.00 C ATOM 1194 CG HIS A 77 -20.175 2.245 7.189 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -19.936 1.699 8.430 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -21.346 1.714 6.765 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -20.918 0.874 8.741 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -21.787 0.864 7.748 1.00 0.00 N ATOM 0 H HIS A 77 -18.017 5.103 5.481 1.00 0.00 H new ATOM 0 HA HIS A 77 -20.807 4.555 5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -18.983 2.850 5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -18.327 3.279 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -21.841 1.921 5.828 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -20.997 0.303 9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -22.646 0.315 7.716 1.00 0.00 H new ATOM 1207 N HIS A 78 -21.262 5.674 8.044 1.00 0.00 N ATOM 1208 CA HIS A 78 -21.597 6.289 9.321 1.00 0.00 C ATOM 1209 C HIS A 78 -21.722 5.217 10.396 1.00 0.00 C ATOM 1210 O HIS A 78 -22.723 4.504 10.463 1.00 0.00 O ATOM 1211 CB HIS A 78 -22.907 7.087 9.207 1.00 0.00 C ATOM 1212 CG HIS A 78 -23.380 7.688 10.499 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -24.433 7.177 11.226 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -22.951 8.774 11.185 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -24.631 7.917 12.298 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -23.747 8.893 12.299 1.00 0.00 N ATOM 0 H HIS A 78 -22.046 5.598 7.396 1.00 0.00 H new ATOM 0 HA HIS A 78 -20.799 6.978 9.599 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -22.770 7.885 8.477 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -23.686 6.431 8.819 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -22.135 9.425 10.908 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -25.390 7.751 13.049 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -23.666 9.619 13.011 1.00 0.00 H new ATOM 1225 N HIS A 79 -20.692 5.091 11.215 1.00 0.00 N ATOM 1226 CA HIS A 79 -20.713 4.145 12.319 1.00 0.00 C ATOM 1227 C HIS A 79 -21.063 4.867 13.609 1.00 0.00 C ATOM 1228 O HIS A 79 -21.375 6.058 13.594 1.00 0.00 O ATOM 1229 CB HIS A 79 -19.370 3.407 12.454 1.00 0.00 C ATOM 1230 CG HIS A 79 -18.182 4.290 12.723 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -17.800 4.677 13.988 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -17.270 4.828 11.878 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -16.708 5.415 13.910 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -16.360 5.521 12.640 1.00 0.00 N ATOM 0 H HIS A 79 -19.830 5.631 11.137 1.00 0.00 H new ATOM 0 HA HIS A 79 -21.476 3.395 12.113 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -19.452 2.679 13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -19.187 2.847 11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.260 4.730 10.802 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.186 5.858 14.745 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.552 6.031 12.285 1.00 0.00 H new ATOM 1243 N HIS A 80 -21.017 4.153 14.717 1.00 0.00 N ATOM 1244 CA HIS A 80 -21.327 4.746 15.999 1.00 0.00 C ATOM 1245 C HIS A 80 -20.035 5.016 16.751 1.00 0.00 C ATOM 1246 O HIS A 80 -19.513 6.137 16.640 1.00 0.00 O ATOM 1247 CB HIS A 80 -22.234 3.822 16.812 1.00 0.00 C ATOM 1248 CG HIS A 80 -22.882 4.498 17.979 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -22.293 4.603 19.219 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -24.087 5.105 18.086 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -23.110 5.239 20.039 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -24.205 5.555 19.376 1.00 0.00 N ATOM 1253 OXT HIS A 80 -19.533 4.085 17.408 1.00 0.00 O ATOM 0 H HIS A 80 -20.768 3.164 14.753 1.00 0.00 H new ATOM 0 HA HIS A 80 -21.857 5.686 15.841 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -23.009 3.420 16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -21.649 2.976 17.171 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -24.820 5.215 17.301 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -22.914 5.462 21.077 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -25.008 6.053 19.760 1.00 0.00 H new TER 1262 HIS A 80