USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 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 78 HIS : no HD1:sc= -0.029 X(o=-0.061,f=-0.037) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.0315 X(o=-0.061,f=0) USER MOD Set 2.1: A 31 CYS SG : rot -103:sc= 1.88 USER MOD Set 2.2: A 40 HIS : no HE2:sc= -4.27! C(o=-2.8!,f=-2.6!) USER MOD Set 2.3: A 56 CYS SG : rot 180:sc= 1.12 USER MOD Set 2.4: A 59 CYS SG : rot 12:sc= -2.89! USER MOD Set 2.5: A 63 TYR OH : rot 16:sc= 1.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0118 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0585 (180deg=-0.359) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.35) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 139:sc= -0.174 (180deg=-0.716) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00578 USER MOD Single : A 25 SER OG : rot 87:sc= 1.27 USER MOD Single : A 26 THR OG1 : rot -122:sc= 0.245 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.56! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0.192 K(o=0.19,f=-2.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.031) USER MOD Single : A 76 HIS : no HD1:sc=-0.00807 X(o=-0.0081,f=-0.19) USER MOD Single : A 77 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.894 22.249 -22.392 1.00 0.00 N ATOM 2 CA MET A 1 -10.652 22.353 -23.848 1.00 0.00 C ATOM 3 C MET A 1 -11.322 21.197 -24.581 1.00 0.00 C ATOM 4 O MET A 1 -11.280 20.055 -24.117 1.00 0.00 O ATOM 5 CB MET A 1 -9.148 22.366 -24.148 1.00 0.00 C ATOM 6 CG MET A 1 -8.830 22.537 -25.626 1.00 0.00 C ATOM 7 SD MET A 1 -9.614 24.002 -26.330 1.00 0.00 S ATOM 8 CE MET A 1 -9.126 23.858 -28.047 1.00 0.00 C ATOM 0 H1 MET A 1 -10.010 22.442 -21.879 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.617 22.941 -22.110 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.225 21.290 -22.163 1.00 0.00 H new ATOM 0 HA MET A 1 -11.083 23.290 -24.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.680 23.175 -23.587 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.706 21.435 -23.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.750 22.607 -25.757 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.161 21.653 -26.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.536 24.694 -28.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.038 23.870 -28.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.506 22.922 -28.456 1.00 0.00 H new ATOM 20 N ARG A 2 -11.937 21.516 -25.721 1.00 0.00 N ATOM 21 CA ARG A 2 -12.658 20.548 -26.554 1.00 0.00 C ATOM 22 C ARG A 2 -13.960 20.114 -25.897 1.00 0.00 C ATOM 23 O ARG A 2 -13.973 19.313 -24.960 1.00 0.00 O ATOM 24 CB ARG A 2 -11.798 19.322 -26.897 1.00 0.00 C ATOM 25 CG ARG A 2 -12.531 18.297 -27.751 1.00 0.00 C ATOM 26 CD ARG A 2 -11.610 17.196 -28.254 1.00 0.00 C ATOM 27 NE ARG A 2 -10.943 16.482 -27.165 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.533 15.215 -27.242 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.789 14.485 -28.318 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.870 14.674 -26.231 1.00 0.00 N ATOM 0 H ARG A 2 -11.949 22.464 -26.097 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.894 21.057 -27.488 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.902 19.650 -27.424 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.469 18.847 -25.973 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.338 17.853 -27.168 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.991 18.799 -28.602 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.187 16.488 -28.849 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.858 17.629 -28.914 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.781 16.985 -26.292 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.305 14.891 -29.099 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.470 13.517 -28.365 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.674 15.226 -25.396 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.555 13.705 -26.287 1.00 0.00 H new ATOM 44 N ARG A 3 -15.052 20.678 -26.388 1.00 0.00 N ATOM 45 CA ARG A 3 -16.383 20.323 -25.930 1.00 0.00 C ATOM 46 C ARG A 3 -17.196 19.791 -27.101 1.00 0.00 C ATOM 47 O ARG A 3 -17.544 20.541 -28.015 1.00 0.00 O ATOM 48 CB ARG A 3 -17.076 21.542 -25.319 1.00 0.00 C ATOM 49 CG ARG A 3 -16.363 22.097 -24.098 1.00 0.00 C ATOM 50 CD ARG A 3 -16.970 23.411 -23.641 1.00 0.00 C ATOM 51 NE ARG A 3 -16.792 24.477 -24.628 1.00 0.00 N ATOM 52 CZ ARG A 3 -16.578 25.756 -24.315 1.00 0.00 C ATOM 53 NH1 ARG A 3 -16.504 26.135 -23.045 1.00 0.00 N ATOM 54 NH2 ARG A 3 -16.433 26.659 -25.274 1.00 0.00 N ATOM 0 H ARG A 3 -15.039 21.394 -27.114 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.304 19.551 -25.165 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.149 22.325 -26.074 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.095 21.270 -25.042 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.413 21.371 -23.286 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.308 22.244 -24.329 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.034 23.270 -23.449 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.513 23.712 -22.698 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.834 24.227 -25.616 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.611 25.446 -22.300 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.340 27.115 -22.814 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.485 26.376 -26.253 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.269 27.637 -25.033 1.00 0.00 H new ATOM 68 N GLN A 4 -17.467 18.494 -27.093 1.00 0.00 N ATOM 69 CA GLN A 4 -18.204 17.869 -28.183 1.00 0.00 C ATOM 70 C GLN A 4 -19.645 17.594 -27.774 1.00 0.00 C ATOM 71 O GLN A 4 -19.914 16.679 -26.994 1.00 0.00 O ATOM 72 CB GLN A 4 -17.537 16.558 -28.609 1.00 0.00 C ATOM 73 CG GLN A 4 -18.090 15.998 -29.910 1.00 0.00 C ATOM 74 CD GLN A 4 -17.620 14.587 -30.205 1.00 0.00 C ATOM 75 OE1 GLN A 4 -16.544 14.170 -29.779 1.00 0.00 O ATOM 76 NE2 GLN A 4 -18.421 13.846 -30.953 1.00 0.00 N ATOM 0 H GLN A 4 -17.189 17.856 -26.347 1.00 0.00 H new ATOM 0 HA GLN A 4 -18.199 18.561 -29.025 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.465 16.722 -28.719 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -17.667 15.819 -27.819 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.179 16.009 -29.868 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.796 16.651 -30.732 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.306 14.229 -31.287 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.154 12.892 -31.196 1.00 0.00 H new ATOM 85 N PRO A 5 -20.592 18.391 -28.284 1.00 0.00 N ATOM 86 CA PRO A 5 -22.006 18.203 -28.019 1.00 0.00 C ATOM 87 C PRO A 5 -22.677 17.287 -29.045 1.00 0.00 C ATOM 88 O PRO A 5 -22.177 17.115 -30.160 1.00 0.00 O ATOM 89 CB PRO A 5 -22.562 19.624 -28.108 1.00 0.00 C ATOM 90 CG PRO A 5 -21.605 20.395 -28.971 1.00 0.00 C ATOM 91 CD PRO A 5 -20.366 19.547 -29.161 1.00 0.00 C ATOM 0 HA PRO A 5 -22.187 17.718 -27.060 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -23.563 19.624 -28.540 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -22.642 20.073 -27.118 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -22.061 20.627 -29.934 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -21.349 21.345 -28.503 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -20.246 19.242 -30.201 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -19.463 20.090 -28.882 1.00 0.00 H new ATOM 99 N LYS A 6 -23.806 16.708 -28.640 1.00 0.00 N ATOM 100 CA LYS A 6 -24.605 15.824 -29.486 1.00 0.00 C ATOM 101 C LYS A 6 -23.785 14.694 -30.106 1.00 0.00 C ATOM 102 O LYS A 6 -23.227 14.827 -31.202 1.00 0.00 O ATOM 103 CB LYS A 6 -25.334 16.628 -30.558 1.00 0.00 C ATOM 104 CG LYS A 6 -26.483 17.447 -30.005 1.00 0.00 C ATOM 105 CD LYS A 6 -27.269 18.134 -31.103 1.00 0.00 C ATOM 106 CE LYS A 6 -28.497 18.836 -30.542 1.00 0.00 C ATOM 107 NZ LYS A 6 -29.453 17.880 -29.915 1.00 0.00 N ATOM 0 H LYS A 6 -24.195 16.841 -27.707 1.00 0.00 H new ATOM 0 HA LYS A 6 -25.342 15.346 -28.841 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.625 17.293 -31.050 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -25.714 15.947 -31.320 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -27.148 16.799 -29.434 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -26.095 18.195 -29.314 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -26.633 18.859 -31.611 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -27.575 17.400 -31.849 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -28.186 19.574 -29.803 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -29.000 19.379 -31.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -30.381 18.337 -29.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -29.549 17.039 -30.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.097 17.596 -28.980 1.00 0.00 H new ATOM 121 N THR A 7 -23.717 13.588 -29.384 1.00 0.00 N ATOM 122 CA THR A 7 -23.042 12.391 -29.845 1.00 0.00 C ATOM 123 C THR A 7 -23.400 11.235 -28.915 1.00 0.00 C ATOM 124 O THR A 7 -23.466 11.407 -27.695 1.00 0.00 O ATOM 125 CB THR A 7 -21.505 12.585 -29.917 1.00 0.00 C ATOM 126 OG1 THR A 7 -20.886 11.440 -30.518 1.00 0.00 O ATOM 127 CG2 THR A 7 -20.906 12.823 -28.535 1.00 0.00 C ATOM 0 H THR A 7 -24.132 13.497 -28.457 1.00 0.00 H new ATOM 0 HA THR A 7 -23.376 12.168 -30.858 1.00 0.00 H new ATOM 0 HB THR A 7 -21.314 13.466 -30.529 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.916 11.576 -30.559 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.828 12.955 -28.624 1.00 0.00 H new ATOM 0 HG22 THR A 7 -21.346 13.719 -28.097 1.00 0.00 H new ATOM 0 HG23 THR A 7 -21.115 11.966 -27.895 1.00 0.00 H new ATOM 135 N ARG A 8 -23.670 10.069 -29.482 1.00 0.00 N ATOM 136 CA ARG A 8 -24.114 8.938 -28.685 1.00 0.00 C ATOM 137 C ARG A 8 -23.228 7.719 -28.903 1.00 0.00 C ATOM 138 O ARG A 8 -23.275 7.082 -29.955 1.00 0.00 O ATOM 139 CB ARG A 8 -25.566 8.592 -29.021 1.00 0.00 C ATOM 140 CG ARG A 8 -26.156 7.511 -28.127 1.00 0.00 C ATOM 141 CD ARG A 8 -27.569 7.143 -28.550 1.00 0.00 C ATOM 142 NE ARG A 8 -28.481 8.283 -28.490 1.00 0.00 N ATOM 143 CZ ARG A 8 -29.805 8.181 -28.584 1.00 0.00 C ATOM 144 NH1 ARG A 8 -30.376 6.991 -28.745 1.00 0.00 N ATOM 145 NH2 ARG A 8 -30.559 9.273 -28.532 1.00 0.00 N ATOM 0 H ARG A 8 -23.590 9.883 -30.482 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.043 9.224 -27.636 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.174 9.493 -28.938 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.622 8.264 -30.059 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.523 6.624 -28.161 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.164 7.857 -27.093 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.551 6.749 -29.566 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.943 6.347 -27.906 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.079 9.213 -28.369 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -29.799 6.151 -28.797 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -31.391 6.918 -28.817 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -30.124 10.189 -28.420 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -31.574 9.196 -28.604 1.00 0.00 H new ATOM 159 N GLN A 9 -22.407 7.414 -27.911 1.00 0.00 N ATOM 160 CA GLN A 9 -21.642 6.177 -27.908 1.00 0.00 C ATOM 161 C GLN A 9 -22.475 5.109 -27.212 1.00 0.00 C ATOM 162 O GLN A 9 -22.447 4.986 -25.985 1.00 0.00 O ATOM 163 CB GLN A 9 -20.298 6.374 -27.190 1.00 0.00 C ATOM 164 CG GLN A 9 -19.189 5.433 -27.651 1.00 0.00 C ATOM 165 CD GLN A 9 -19.484 3.965 -27.399 1.00 0.00 C ATOM 166 OE1 GLN A 9 -20.041 3.276 -28.253 1.00 0.00 O ATOM 167 NE2 GLN A 9 -19.116 3.478 -26.224 1.00 0.00 N ATOM 0 H GLN A 9 -22.253 8.007 -27.096 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.422 5.870 -28.930 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.969 7.403 -27.338 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.450 6.239 -26.119 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.020 5.582 -28.717 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.264 5.700 -27.141 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.656 4.082 -25.543 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.292 2.499 -26.000 1.00 0.00 H new ATOM 176 N GLU A 10 -23.257 4.377 -27.995 1.00 0.00 N ATOM 177 CA GLU A 10 -24.182 3.404 -27.443 1.00 0.00 C ATOM 178 C GLU A 10 -23.449 2.203 -26.852 1.00 0.00 C ATOM 179 O GLU A 10 -22.987 1.310 -27.567 1.00 0.00 O ATOM 180 CB GLU A 10 -25.200 2.960 -28.502 1.00 0.00 C ATOM 181 CG GLU A 10 -24.584 2.568 -29.836 1.00 0.00 C ATOM 182 CD GLU A 10 -25.612 2.056 -30.822 1.00 0.00 C ATOM 183 OE1 GLU A 10 -26.376 2.879 -31.372 1.00 0.00 O ATOM 184 OE2 GLU A 10 -25.668 0.830 -31.044 1.00 0.00 O ATOM 0 H GLU A 10 -23.267 4.441 -29.013 1.00 0.00 H new ATOM 0 HA GLU A 10 -24.723 3.887 -26.629 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.765 2.113 -28.113 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.911 3.769 -28.667 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.073 3.431 -30.264 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.829 1.799 -29.672 1.00 0.00 H new ATOM 191 N SER A 11 -23.322 2.207 -25.537 1.00 0.00 N ATOM 192 CA SER A 11 -22.748 1.086 -24.824 1.00 0.00 C ATOM 193 C SER A 11 -23.869 0.272 -24.191 1.00 0.00 C ATOM 194 O SER A 11 -24.572 0.753 -23.300 1.00 0.00 O ATOM 195 CB SER A 11 -21.762 1.574 -23.757 1.00 0.00 C ATOM 196 OG SER A 11 -20.932 0.518 -23.295 1.00 0.00 O ATOM 0 H SER A 11 -23.612 2.982 -24.940 1.00 0.00 H new ATOM 0 HA SER A 11 -22.196 0.456 -25.522 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.143 2.371 -24.169 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.313 1.999 -22.918 1.00 0.00 H new ATOM 0 HG SER A 11 -20.313 0.861 -22.617 1.00 0.00 H new ATOM 202 N ALA A 12 -24.054 -0.944 -24.689 1.00 0.00 N ATOM 203 CA ALA A 12 -25.124 -1.818 -24.228 1.00 0.00 C ATOM 204 C ALA A 12 -24.977 -2.139 -22.749 1.00 0.00 C ATOM 205 O ALA A 12 -25.963 -2.173 -22.011 1.00 0.00 O ATOM 206 CB ALA A 12 -25.146 -3.100 -25.046 1.00 0.00 C ATOM 0 H ALA A 12 -23.470 -1.350 -25.420 1.00 0.00 H new ATOM 0 HA ALA A 12 -26.069 -1.293 -24.365 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -25.950 -3.744 -24.691 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -25.311 -2.859 -26.096 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -24.193 -3.617 -24.938 1.00 0.00 H new ATOM 212 N ARG A 13 -23.750 -2.374 -22.321 1.00 0.00 N ATOM 213 CA ARG A 13 -23.481 -2.642 -20.922 1.00 0.00 C ATOM 214 C ARG A 13 -23.455 -1.338 -20.143 1.00 0.00 C ATOM 215 O ARG A 13 -22.440 -0.638 -20.094 1.00 0.00 O ATOM 216 CB ARG A 13 -22.162 -3.386 -20.757 1.00 0.00 C ATOM 217 CG ARG A 13 -21.868 -3.832 -19.330 1.00 0.00 C ATOM 218 CD ARG A 13 -22.877 -4.858 -18.833 1.00 0.00 C ATOM 219 NE ARG A 13 -22.518 -5.364 -17.513 1.00 0.00 N ATOM 220 CZ ARG A 13 -23.364 -5.946 -16.667 1.00 0.00 C ATOM 221 NH1 ARG A 13 -24.638 -6.118 -16.992 1.00 0.00 N ATOM 222 NH2 ARG A 13 -22.922 -6.366 -15.491 1.00 0.00 N ATOM 0 H ARG A 13 -22.926 -2.385 -22.922 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.277 -3.275 -20.529 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -22.169 -4.262 -21.405 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -21.351 -2.743 -21.099 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -20.865 -4.257 -19.283 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.878 -2.965 -18.670 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.868 -4.406 -18.793 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.933 -5.687 -19.539 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.547 -5.264 -17.217 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.980 -5.803 -17.900 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.276 -6.566 -16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.941 -6.242 -15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.563 -6.813 -14.835 1.00 0.00 H new ATOM 236 N MET A 14 -24.587 -1.013 -19.556 1.00 0.00 N ATOM 237 CA MET A 14 -24.734 0.222 -18.800 1.00 0.00 C ATOM 238 C MET A 14 -24.607 -0.061 -17.311 1.00 0.00 C ATOM 239 O MET A 14 -24.324 0.841 -16.521 1.00 0.00 O ATOM 240 CB MET A 14 -26.076 0.899 -19.106 1.00 0.00 C ATOM 241 CG MET A 14 -27.293 0.102 -18.667 1.00 0.00 C ATOM 242 SD MET A 14 -28.846 0.930 -19.064 1.00 0.00 S ATOM 243 CE MET A 14 -28.760 0.980 -20.855 1.00 0.00 C ATOM 0 H MET A 14 -25.428 -1.589 -19.586 1.00 0.00 H new ATOM 0 HA MET A 14 -23.939 0.905 -19.099 1.00 0.00 H new ATOM 0 HB2 MET A 14 -26.098 1.873 -18.617 1.00 0.00 H new ATOM 0 HB3 MET A 14 -26.142 1.080 -20.179 1.00 0.00 H new ATOM 0 HG2 MET A 14 -27.274 -0.876 -19.147 1.00 0.00 H new ATOM 0 HG3 MET A 14 -27.242 -0.070 -17.592 1.00 0.00 H new ATOM 0 HE1 MET A 14 -29.740 0.751 -21.273 1.00 0.00 H new ATOM 0 HE2 MET A 14 -28.452 1.975 -21.177 1.00 0.00 H new ATOM 0 HE3 MET A 14 -28.036 0.245 -21.205 1.00 0.00 H new ATOM 253 N SER A 15 -24.824 -1.317 -16.937 1.00 0.00 N ATOM 254 CA SER A 15 -24.643 -1.743 -15.561 1.00 0.00 C ATOM 255 C SER A 15 -23.154 -1.920 -15.285 1.00 0.00 C ATOM 256 O SER A 15 -22.503 -2.797 -15.857 1.00 0.00 O ATOM 257 CB SER A 15 -25.409 -3.046 -15.307 1.00 0.00 C ATOM 258 OG SER A 15 -25.439 -3.370 -13.926 1.00 0.00 O ATOM 0 H SER A 15 -25.126 -2.057 -17.571 1.00 0.00 H new ATOM 0 HA SER A 15 -25.039 -0.986 -14.885 1.00 0.00 H new ATOM 0 HB2 SER A 15 -26.428 -2.949 -15.681 1.00 0.00 H new ATOM 0 HB3 SER A 15 -24.941 -3.859 -15.863 1.00 0.00 H new ATOM 0 HG SER A 15 -25.936 -4.205 -13.797 1.00 0.00 H new ATOM 264 N ILE A 16 -22.607 -1.060 -14.440 1.00 0.00 N ATOM 265 CA ILE A 16 -21.187 -1.064 -14.173 1.00 0.00 C ATOM 266 C ILE A 16 -20.860 -1.716 -12.837 1.00 0.00 C ATOM 267 O ILE A 16 -21.565 -1.526 -11.845 1.00 0.00 O ATOM 268 CB ILE A 16 -20.599 0.362 -14.216 1.00 0.00 C ATOM 269 CG1 ILE A 16 -21.648 1.430 -13.859 1.00 0.00 C ATOM 270 CG2 ILE A 16 -19.994 0.645 -15.583 1.00 0.00 C ATOM 271 CD1 ILE A 16 -22.015 1.487 -12.390 1.00 0.00 C ATOM 0 H ILE A 16 -23.131 -0.350 -13.928 1.00 0.00 H new ATOM 0 HA ILE A 16 -20.727 -1.657 -14.964 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.814 0.414 -13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -21.272 2.406 -14.164 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -22.552 1.241 -14.439 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.584 1.655 -15.597 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.199 -0.073 -15.785 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.766 0.556 -16.348 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -22.759 2.267 -12.231 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -22.425 0.526 -12.080 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.125 1.709 -11.801 1.00 0.00 H new ATOM 283 N GLU A 17 -19.793 -2.499 -12.830 1.00 0.00 N ATOM 284 CA GLU A 17 -19.318 -3.144 -11.621 1.00 0.00 C ATOM 285 C GLU A 17 -17.800 -3.205 -11.659 1.00 0.00 C ATOM 286 O GLU A 17 -17.227 -4.017 -12.380 1.00 0.00 O ATOM 287 CB GLU A 17 -19.900 -4.555 -11.499 1.00 0.00 C ATOM 288 CG GLU A 17 -19.622 -5.215 -10.159 1.00 0.00 C ATOM 289 CD GLU A 17 -20.270 -4.476 -9.007 1.00 0.00 C ATOM 290 OE1 GLU A 17 -21.440 -4.776 -8.685 1.00 0.00 O ATOM 291 OE2 GLU A 17 -19.615 -3.593 -8.416 1.00 0.00 O ATOM 0 H GLU A 17 -19.235 -2.703 -13.659 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.642 -2.569 -10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.978 -4.509 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.489 -5.178 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.987 -6.242 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.545 -5.263 -9.997 1.00 0.00 H new ATOM 298 N ALA A 18 -17.149 -2.326 -10.912 1.00 0.00 N ATOM 299 CA ALA A 18 -15.698 -2.237 -10.952 1.00 0.00 C ATOM 300 C ALA A 18 -15.111 -1.906 -9.585 1.00 0.00 C ATOM 301 O ALA A 18 -15.300 -0.806 -9.068 1.00 0.00 O ATOM 302 CB ALA A 18 -15.264 -1.195 -11.973 1.00 0.00 C ATOM 0 H ALA A 18 -17.599 -1.669 -10.275 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.317 -3.215 -11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.176 -1.137 -11.994 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.631 -1.477 -12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.674 -0.223 -11.698 1.00 0.00 H new ATOM 308 N PRO A 19 -14.397 -2.866 -8.979 1.00 0.00 N ATOM 309 CA PRO A 19 -13.640 -2.656 -7.740 1.00 0.00 C ATOM 310 C PRO A 19 -12.264 -2.067 -8.015 1.00 0.00 C ATOM 311 O PRO A 19 -11.272 -2.382 -7.354 1.00 0.00 O ATOM 312 CB PRO A 19 -13.492 -4.064 -7.166 1.00 0.00 C ATOM 313 CG PRO A 19 -14.200 -4.986 -8.114 1.00 0.00 C ATOM 314 CD PRO A 19 -14.295 -4.255 -9.420 1.00 0.00 C ATOM 0 HA PRO A 19 -14.140 -1.957 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.441 -4.336 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.927 -4.124 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.651 -5.920 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.191 -5.243 -7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.419 -4.422 -10.046 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.165 -4.565 -10.000 1.00 0.00 H new ATOM 322 N GLU A 20 -12.240 -1.198 -8.987 1.00 0.00 N ATOM 323 CA GLU A 20 -11.015 -0.583 -9.470 1.00 0.00 C ATOM 324 C GLU A 20 -10.695 0.683 -8.683 1.00 0.00 C ATOM 325 O GLU A 20 -11.602 1.361 -8.197 1.00 0.00 O ATOM 326 CB GLU A 20 -11.152 -0.251 -10.961 1.00 0.00 C ATOM 327 CG GLU A 20 -9.955 0.480 -11.544 1.00 0.00 C ATOM 328 CD GLU A 20 -10.126 0.802 -13.012 1.00 0.00 C ATOM 329 OE1 GLU A 20 -10.984 1.644 -13.347 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.389 0.224 -13.835 1.00 0.00 O ATOM 0 H GLU A 20 -13.077 -0.887 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.197 -1.289 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.305 -1.176 -11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.043 0.359 -11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.794 1.405 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.062 -0.131 -11.412 1.00 0.00 H new ATOM 337 N THR A 21 -9.398 0.986 -8.585 1.00 0.00 N ATOM 338 CA THR A 21 -8.898 2.179 -7.933 1.00 0.00 C ATOM 339 C THR A 21 -9.096 2.141 -6.416 1.00 0.00 C ATOM 340 O THR A 21 -10.190 1.884 -5.907 1.00 0.00 O ATOM 341 CB THR A 21 -9.571 3.409 -8.532 1.00 0.00 C ATOM 342 OG1 THR A 21 -9.131 3.599 -9.883 1.00 0.00 O ATOM 343 CG2 THR A 21 -9.317 4.669 -7.713 1.00 0.00 C ATOM 0 H THR A 21 -8.661 0.393 -8.966 1.00 0.00 H new ATOM 0 HA THR A 21 -7.823 2.228 -8.107 1.00 0.00 H new ATOM 0 HB THR A 21 -10.646 3.230 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.569 4.390 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.818 5.515 -8.183 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.706 4.532 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.245 4.862 -7.666 1.00 0.00 H new ATOM 351 N VAL A 22 -8.013 2.401 -5.709 1.00 0.00 N ATOM 352 CA VAL A 22 -8.027 2.428 -4.254 1.00 0.00 C ATOM 353 C VAL A 22 -7.832 3.857 -3.763 1.00 0.00 C ATOM 354 O VAL A 22 -6.812 4.490 -4.056 1.00 0.00 O ATOM 355 CB VAL A 22 -6.926 1.529 -3.647 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.063 1.466 -2.129 1.00 0.00 C ATOM 357 CG2 VAL A 22 -6.971 0.129 -4.245 1.00 0.00 C ATOM 0 H VAL A 22 -7.102 2.599 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.994 2.044 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.959 1.969 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.280 0.829 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.969 2.469 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.038 1.055 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.186 -0.482 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.942 -0.323 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.818 0.189 -5.323 1.00 0.00 H new ATOM 367 N VAL A 23 -8.807 4.365 -3.029 1.00 0.00 N ATOM 368 CA VAL A 23 -8.766 5.732 -2.547 1.00 0.00 C ATOM 369 C VAL A 23 -8.106 5.796 -1.178 1.00 0.00 C ATOM 370 O VAL A 23 -8.492 5.075 -0.254 1.00 0.00 O ATOM 371 CB VAL A 23 -10.183 6.332 -2.462 1.00 0.00 C ATOM 372 CG1 VAL A 23 -10.124 7.794 -2.064 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.915 6.165 -3.785 1.00 0.00 C ATOM 0 H VAL A 23 -9.641 3.846 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.180 6.315 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.737 5.792 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.135 8.197 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.644 7.887 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.551 8.350 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.914 6.595 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.362 6.676 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.994 5.105 -4.026 1.00 0.00 H new ATOM 383 N VAL A 24 -7.109 6.657 -1.053 1.00 0.00 N ATOM 384 CA VAL A 24 -6.378 6.803 0.196 1.00 0.00 C ATOM 385 C VAL A 24 -6.186 8.271 0.545 1.00 0.00 C ATOM 386 O VAL A 24 -6.157 9.130 -0.334 1.00 0.00 O ATOM 387 CB VAL A 24 -4.993 6.120 0.139 1.00 0.00 C ATOM 388 CG1 VAL A 24 -5.138 4.612 0.009 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.158 6.673 -1.008 1.00 0.00 C ATOM 0 H VAL A 24 -6.786 7.267 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.978 6.315 0.964 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.476 6.338 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.150 4.153 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.685 4.224 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.683 4.376 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.188 6.175 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.674 6.496 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.013 7.744 -0.869 1.00 0.00 H new ATOM 399 N SER A 25 -6.070 8.554 1.833 1.00 0.00 N ATOM 400 CA SER A 25 -5.767 9.897 2.296 1.00 0.00 C ATOM 401 C SER A 25 -4.381 9.889 2.935 1.00 0.00 C ATOM 402 O SER A 25 -4.004 10.788 3.685 1.00 0.00 O ATOM 403 CB SER A 25 -6.840 10.364 3.292 1.00 0.00 C ATOM 404 OG SER A 25 -6.777 11.766 3.514 1.00 0.00 O ATOM 0 H SER A 25 -6.182 7.867 2.579 1.00 0.00 H new ATOM 0 HA SER A 25 -5.768 10.596 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.827 10.100 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.711 9.840 4.239 1.00 0.00 H new ATOM 0 HG SER A 25 -7.311 12.229 2.835 1.00 0.00 H new ATOM 410 N THR A 26 -3.620 8.851 2.606 1.00 0.00 N ATOM 411 CA THR A 26 -2.277 8.675 3.136 1.00 0.00 C ATOM 412 C THR A 26 -1.257 8.707 1.999 1.00 0.00 C ATOM 413 O THR A 26 -1.595 8.419 0.850 1.00 0.00 O ATOM 414 CB THR A 26 -2.156 7.346 3.914 1.00 0.00 C ATOM 415 OG1 THR A 26 -0.807 7.144 4.358 1.00 0.00 O ATOM 416 CG2 THR A 26 -2.591 6.170 3.056 1.00 0.00 C ATOM 0 H THR A 26 -3.916 8.113 1.968 1.00 0.00 H new ATOM 0 HA THR A 26 -2.075 9.494 3.826 1.00 0.00 H new ATOM 0 HB THR A 26 -2.814 7.408 4.781 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.465 6.301 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.496 5.247 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.630 6.304 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.960 6.114 2.169 1.00 0.00 H new ATOM 424 N TRP A 27 -0.019 9.067 2.318 1.00 0.00 N ATOM 425 CA TRP A 27 1.034 9.163 1.318 1.00 0.00 C ATOM 426 C TRP A 27 1.877 7.890 1.265 1.00 0.00 C ATOM 427 O TRP A 27 2.707 7.720 0.372 1.00 0.00 O ATOM 428 CB TRP A 27 1.916 10.373 1.607 1.00 0.00 C ATOM 429 CG TRP A 27 1.215 11.680 1.379 1.00 0.00 C ATOM 430 CD1 TRP A 27 0.869 12.601 2.325 1.00 0.00 C ATOM 431 CD2 TRP A 27 0.760 12.203 0.124 1.00 0.00 C ATOM 432 NE1 TRP A 27 0.238 13.670 1.734 1.00 0.00 N ATOM 433 CE2 TRP A 27 0.157 13.449 0.384 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.809 11.742 -1.196 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -0.393 14.236 -0.625 1.00 0.00 C ATOM 436 CZ3 TRP A 27 0.262 12.524 -2.197 1.00 0.00 C ATOM 437 CH2 TRP A 27 -0.333 13.759 -1.906 1.00 0.00 C ATOM 0 H TRP A 27 0.279 9.298 3.266 1.00 0.00 H new ATOM 0 HA TRP A 27 0.563 9.286 0.343 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.259 10.327 2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.803 10.328 0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.063 12.504 3.383 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.113 14.494 2.222 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.266 10.792 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.851 15.189 -0.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.294 12.177 -3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.753 14.346 -2.709 1.00 0.00 H new ATOM 448 N LYS A 28 1.666 7.001 2.222 1.00 0.00 N ATOM 449 CA LYS A 28 2.330 5.702 2.220 1.00 0.00 C ATOM 450 C LYS A 28 1.304 4.590 2.325 1.00 0.00 C ATOM 451 O LYS A 28 0.530 4.535 3.280 1.00 0.00 O ATOM 452 CB LYS A 28 3.348 5.578 3.356 1.00 0.00 C ATOM 453 CG LYS A 28 4.672 6.265 3.073 1.00 0.00 C ATOM 454 CD LYS A 28 5.737 5.817 4.058 1.00 0.00 C ATOM 455 CE LYS A 28 7.110 6.344 3.677 1.00 0.00 C ATOM 456 NZ LYS A 28 8.174 5.801 4.562 1.00 0.00 N ATOM 0 H LYS A 28 1.040 7.153 3.013 1.00 0.00 H new ATOM 0 HA LYS A 28 2.871 5.614 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.918 6.000 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.532 4.522 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.993 6.039 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.546 7.346 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.478 6.165 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.763 4.728 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.327 6.079 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.110 7.433 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.096 6.183 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.980 6.075 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.191 4.764 4.489 1.00 0.00 H new ATOM 470 N VAL A 29 1.301 3.704 1.346 1.00 0.00 N ATOM 471 CA VAL A 29 0.319 2.644 1.288 1.00 0.00 C ATOM 472 C VAL A 29 0.975 1.272 1.339 1.00 0.00 C ATOM 473 O VAL A 29 1.965 1.012 0.653 1.00 0.00 O ATOM 474 CB VAL A 29 -0.547 2.754 0.017 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.465 3.961 0.105 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.322 2.845 -1.232 1.00 0.00 C ATOM 0 H VAL A 29 1.972 3.700 0.578 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.321 2.757 2.163 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.155 1.852 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.070 4.025 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.118 3.859 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.867 4.867 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.315 2.922 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.960 3.726 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.943 1.952 -1.309 1.00 0.00 H new ATOM 486 N ALA A 30 0.435 0.404 2.176 1.00 0.00 N ATOM 487 CA ALA A 30 0.894 -0.971 2.247 1.00 0.00 C ATOM 488 C ALA A 30 0.124 -1.815 1.246 1.00 0.00 C ATOM 489 O ALA A 30 -1.078 -2.033 1.400 1.00 0.00 O ATOM 490 CB ALA A 30 0.725 -1.520 3.657 1.00 0.00 C ATOM 0 H ALA A 30 -0.325 0.629 2.818 1.00 0.00 H new ATOM 0 HA ALA A 30 1.955 -1.006 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.075 -2.552 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.307 -0.917 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.328 -1.484 3.938 1.00 0.00 H new ATOM 496 N CYS A 31 0.802 -2.267 0.209 1.00 0.00 N ATOM 497 CA CYS A 31 0.153 -3.041 -0.823 1.00 0.00 C ATOM 498 C CYS A 31 0.216 -4.514 -0.468 1.00 0.00 C ATOM 499 O CYS A 31 1.222 -4.999 0.054 1.00 0.00 O ATOM 500 CB CYS A 31 0.791 -2.777 -2.183 1.00 0.00 C ATOM 501 SG CYS A 31 -0.203 -3.353 -3.576 1.00 0.00 S ATOM 0 H CYS A 31 1.799 -2.111 0.062 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.892 -2.739 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.965 -1.706 -2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.766 -3.264 -2.218 1.00 0.00 H new ATOM 0 HG CYS A 31 0.294 -4.464 -4.033 1.00 0.00 H new ATOM 507 N ASP A 32 -0.860 -5.215 -0.750 1.00 0.00 N ATOM 508 CA ASP A 32 -1.022 -6.580 -0.271 1.00 0.00 C ATOM 509 C ASP A 32 -1.358 -7.524 -1.423 1.00 0.00 C ATOM 510 O ASP A 32 -1.865 -8.628 -1.221 1.00 0.00 O ATOM 511 CB ASP A 32 -2.120 -6.603 0.794 1.00 0.00 C ATOM 512 CG ASP A 32 -2.083 -7.842 1.663 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.013 -8.142 2.236 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.137 -8.497 1.816 1.00 0.00 O ATOM 0 H ASP A 32 -1.639 -4.867 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.086 -6.925 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.022 -5.721 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.092 -6.539 0.305 1.00 0.00 H new ATOM 519 N GLY A 33 -1.051 -7.082 -2.635 1.00 0.00 N ATOM 520 CA GLY A 33 -1.310 -7.887 -3.812 1.00 0.00 C ATOM 521 C GLY A 33 -2.702 -7.671 -4.361 1.00 0.00 C ATOM 522 O GLY A 33 -3.151 -6.537 -4.501 1.00 0.00 O ATOM 0 H GLY A 33 -0.625 -6.175 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.577 -7.647 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.179 -8.940 -3.565 1.00 0.00 H new ATOM 526 N GLY A 34 -3.377 -8.758 -4.675 1.00 0.00 N ATOM 527 CA GLY A 34 -4.736 -8.684 -5.163 1.00 0.00 C ATOM 528 C GLY A 34 -5.732 -8.865 -4.051 1.00 0.00 C ATOM 529 O GLY A 34 -5.910 -7.987 -3.205 1.00 0.00 O ATOM 0 H GLY A 34 -3.004 -9.704 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.899 -7.720 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.893 -9.450 -5.922 1.00 0.00 H new ATOM 533 N GLU A 35 -6.381 -10.000 -4.071 1.00 0.00 N ATOM 534 CA GLU A 35 -7.290 -10.392 -3.008 1.00 0.00 C ATOM 535 C GLU A 35 -6.513 -11.098 -1.905 1.00 0.00 C ATOM 536 O GLU A 35 -5.287 -11.222 -1.981 1.00 0.00 O ATOM 537 CB GLU A 35 -8.383 -11.305 -3.563 1.00 0.00 C ATOM 538 CG GLU A 35 -9.208 -10.654 -4.663 1.00 0.00 C ATOM 539 CD GLU A 35 -10.302 -11.557 -5.188 1.00 0.00 C ATOM 540 OE1 GLU A 35 -11.378 -11.620 -4.559 1.00 0.00 O ATOM 541 OE2 GLU A 35 -10.100 -12.193 -6.243 1.00 0.00 O ATOM 0 H GLU A 35 -6.299 -10.685 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.763 -9.503 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.925 -12.214 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.045 -11.604 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.654 -9.735 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.550 -10.372 -5.485 1.00 0.00 H new ATOM 548 N GLY A 36 -7.224 -11.554 -0.888 1.00 0.00 N ATOM 549 CA GLY A 36 -6.586 -12.222 0.230 1.00 0.00 C ATOM 550 C GLY A 36 -5.798 -13.444 -0.187 1.00 0.00 C ATOM 551 O GLY A 36 -6.372 -14.414 -0.685 1.00 0.00 O ATOM 0 H GLY A 36 -8.238 -11.474 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.920 -11.521 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.347 -12.516 0.953 1.00 0.00 H new ATOM 555 N ALA A 37 -4.483 -13.369 0.013 1.00 0.00 N ATOM 556 CA ALA A 37 -3.545 -14.447 -0.318 1.00 0.00 C ATOM 557 C ALA A 37 -3.330 -14.575 -1.826 1.00 0.00 C ATOM 558 O ALA A 37 -2.644 -15.488 -2.291 1.00 0.00 O ATOM 559 CB ALA A 37 -3.995 -15.778 0.283 1.00 0.00 C ATOM 0 H ALA A 37 -4.031 -12.548 0.415 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.586 -14.181 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.279 -16.557 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.050 -15.687 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.977 -16.041 -0.109 1.00 0.00 H new ATOM 565 N LEU A 38 -3.890 -13.647 -2.589 1.00 0.00 N ATOM 566 CA LEU A 38 -3.760 -13.678 -4.037 1.00 0.00 C ATOM 567 C LEU A 38 -2.900 -12.521 -4.519 1.00 0.00 C ATOM 568 O LEU A 38 -3.409 -11.440 -4.800 1.00 0.00 O ATOM 569 CB LEU A 38 -5.138 -13.606 -4.701 1.00 0.00 C ATOM 570 CG LEU A 38 -6.087 -14.763 -4.371 1.00 0.00 C ATOM 571 CD1 LEU A 38 -7.438 -14.552 -5.036 1.00 0.00 C ATOM 572 CD2 LEU A 38 -5.483 -16.088 -4.811 1.00 0.00 C ATOM 0 H LEU A 38 -4.438 -12.865 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.281 -14.617 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.616 -12.671 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.000 -13.568 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.234 -14.789 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.098 -15.384 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.878 -13.621 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.307 -14.500 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.170 -16.899 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.308 -16.069 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.537 -16.247 -4.293 1.00 0.00 H new ATOM 584 N GLY A 39 -1.599 -12.733 -4.594 1.00 0.00 N ATOM 585 CA GLY A 39 -0.720 -11.681 -5.048 1.00 0.00 C ATOM 586 C GLY A 39 0.652 -11.762 -4.425 1.00 0.00 C ATOM 587 O GLY A 39 1.165 -12.849 -4.173 1.00 0.00 O ATOM 0 H GLY A 39 -1.137 -13.609 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.626 -11.734 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.165 -10.714 -4.813 1.00 0.00 H new ATOM 591 N HIS A 40 1.233 -10.602 -4.170 1.00 0.00 N ATOM 592 CA HIS A 40 2.584 -10.511 -3.632 1.00 0.00 C ATOM 593 C HIS A 40 2.556 -10.315 -2.115 1.00 0.00 C ATOM 594 O HIS A 40 1.524 -9.937 -1.553 1.00 0.00 O ATOM 595 CB HIS A 40 3.339 -9.350 -4.297 1.00 0.00 C ATOM 596 CG HIS A 40 2.709 -8.002 -4.083 1.00 0.00 C ATOM 597 ND1 HIS A 40 2.868 -7.255 -2.939 1.00 0.00 N ATOM 598 CD2 HIS A 40 1.910 -7.266 -4.896 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.181 -6.120 -3.084 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.580 -6.074 -4.257 1.00 0.00 N ATOM 0 H HIS A 40 0.786 -9.699 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 40 3.101 -11.446 -3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.359 -9.327 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.406 -9.541 -5.368 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.416 -7.522 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.582 -7.559 -5.883 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.125 -5.341 -2.338 1.00 0.00 H new ATOM 608 N PRO A 41 3.684 -10.582 -1.431 1.00 0.00 N ATOM 609 CA PRO A 41 3.827 -10.288 -0.004 1.00 0.00 C ATOM 610 C PRO A 41 3.681 -8.795 0.262 1.00 0.00 C ATOM 611 O PRO A 41 3.909 -7.979 -0.628 1.00 0.00 O ATOM 612 CB PRO A 41 5.248 -10.759 0.333 1.00 0.00 C ATOM 613 CG PRO A 41 5.950 -10.849 -0.979 1.00 0.00 C ATOM 614 CD PRO A 41 4.896 -11.205 -1.985 1.00 0.00 C ATOM 0 HA PRO A 41 3.065 -10.780 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.748 -10.057 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.234 -11.724 0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.428 -9.903 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.735 -11.605 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.134 -10.814 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.784 -12.284 -2.087 1.00 0.00 H new ATOM 622 N ARG A 42 3.317 -8.444 1.481 1.00 0.00 N ATOM 623 CA ARG A 42 2.995 -7.062 1.817 1.00 0.00 C ATOM 624 C ARG A 42 4.208 -6.149 1.663 1.00 0.00 C ATOM 625 O ARG A 42 5.244 -6.367 2.289 1.00 0.00 O ATOM 626 CB ARG A 42 2.457 -6.993 3.242 1.00 0.00 C ATOM 627 CG ARG A 42 1.915 -5.631 3.633 1.00 0.00 C ATOM 628 CD ARG A 42 0.959 -5.753 4.804 1.00 0.00 C ATOM 629 NE ARG A 42 -0.121 -6.691 4.503 1.00 0.00 N ATOM 630 CZ ARG A 42 -0.989 -7.157 5.393 1.00 0.00 C ATOM 631 NH1 ARG A 42 -0.914 -6.794 6.670 1.00 0.00 N ATOM 632 NH2 ARG A 42 -1.926 -8.008 4.996 1.00 0.00 N ATOM 0 H ARG A 42 3.235 -9.097 2.261 1.00 0.00 H new ATOM 0 HA ARG A 42 2.232 -6.712 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.666 -7.734 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.253 -7.268 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.739 -4.968 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.402 -5.180 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.502 -6.089 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.541 -4.775 5.040 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.215 -7.011 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.184 -6.151 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.587 -7.159 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.973 -8.296 4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.600 -8.375 5.668 1.00 0.00 H new ATOM 646 N VAL A 43 4.065 -5.131 0.820 1.00 0.00 N ATOM 647 CA VAL A 43 5.131 -4.164 0.588 1.00 0.00 C ATOM 648 C VAL A 43 4.614 -2.763 0.893 1.00 0.00 C ATOM 649 O VAL A 43 3.409 -2.520 0.856 1.00 0.00 O ATOM 650 CB VAL A 43 5.642 -4.200 -0.874 1.00 0.00 C ATOM 651 CG1 VAL A 43 6.951 -3.442 -1.021 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.797 -5.628 -1.377 1.00 0.00 C ATOM 0 H VAL A 43 3.216 -4.954 0.284 1.00 0.00 H new ATOM 0 HA VAL A 43 5.962 -4.425 1.244 1.00 0.00 H new ATOM 0 HB VAL A 43 4.889 -3.705 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.283 -3.486 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.803 -2.402 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.707 -3.894 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.157 -5.614 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.512 -6.159 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.833 -6.135 -1.337 1.00 0.00 H new ATOM 662 N TRP A 44 5.520 -1.851 1.181 1.00 0.00 N ATOM 663 CA TRP A 44 5.162 -0.495 1.522 1.00 0.00 C ATOM 664 C TRP A 44 5.569 0.457 0.407 1.00 0.00 C ATOM 665 O TRP A 44 6.744 0.544 0.050 1.00 0.00 O ATOM 666 CB TRP A 44 5.840 -0.117 2.834 1.00 0.00 C ATOM 667 CG TRP A 44 5.253 -0.818 4.017 1.00 0.00 C ATOM 668 CD1 TRP A 44 5.568 -2.063 4.481 1.00 0.00 C ATOM 669 CD2 TRP A 44 4.236 -0.314 4.882 1.00 0.00 C ATOM 670 NE1 TRP A 44 4.800 -2.362 5.579 1.00 0.00 N ATOM 671 CE2 TRP A 44 3.978 -1.301 5.847 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.522 0.881 4.931 1.00 0.00 C ATOM 673 CZ2 TRP A 44 3.030 -1.133 6.851 1.00 0.00 C ATOM 674 CZ3 TRP A 44 2.581 1.053 5.928 1.00 0.00 C ATOM 675 CH2 TRP A 44 2.343 0.051 6.879 1.00 0.00 C ATOM 0 H TRP A 44 6.524 -2.032 1.184 1.00 0.00 H new ATOM 0 HA TRP A 44 4.081 -0.421 1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.902 -0.353 2.769 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.761 0.960 2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.311 -2.716 4.048 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.836 -3.233 6.109 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.701 1.659 4.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.843 -1.907 7.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.020 1.974 5.975 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.603 0.216 7.649 1.00 0.00 H new ATOM 686 N LEU A 45 4.592 1.153 -0.151 1.00 0.00 N ATOM 687 CA LEU A 45 4.834 2.065 -1.246 1.00 0.00 C ATOM 688 C LEU A 45 4.673 3.504 -0.783 1.00 0.00 C ATOM 689 O LEU A 45 4.070 3.769 0.258 1.00 0.00 O ATOM 690 CB LEU A 45 3.863 1.782 -2.387 1.00 0.00 C ATOM 691 CG LEU A 45 3.929 0.368 -2.971 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.864 0.184 -4.043 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.315 0.089 -3.539 1.00 0.00 C ATOM 0 H LEU A 45 3.617 1.099 0.143 1.00 0.00 H new ATOM 0 HA LEU A 45 5.855 1.919 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.849 1.963 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.052 2.497 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 45 3.737 -0.345 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.925 -0.826 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.878 0.341 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.025 0.906 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.344 -0.920 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.537 0.808 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.058 0.179 -2.747 1.00 0.00 H new ATOM 705 N SER A 46 5.200 4.427 -1.568 1.00 0.00 N ATOM 706 CA SER A 46 5.106 5.842 -1.260 1.00 0.00 C ATOM 707 C SER A 46 4.510 6.588 -2.447 1.00 0.00 C ATOM 708 O SER A 46 4.930 6.387 -3.588 1.00 0.00 O ATOM 709 CB SER A 46 6.486 6.393 -0.909 1.00 0.00 C ATOM 710 OG SER A 46 7.064 5.653 0.155 1.00 0.00 O ATOM 0 H SER A 46 5.702 4.218 -2.431 1.00 0.00 H new ATOM 0 HA SER A 46 4.453 5.983 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.134 6.349 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.403 7.442 -0.626 1.00 0.00 H new ATOM 0 HG SER A 46 7.948 6.019 0.365 1.00 0.00 H new ATOM 716 N ILE A 47 3.528 7.429 -2.172 1.00 0.00 N ATOM 717 CA ILE A 47 2.793 8.125 -3.220 1.00 0.00 C ATOM 718 C ILE A 47 3.435 9.474 -3.546 1.00 0.00 C ATOM 719 O ILE A 47 3.726 10.263 -2.647 1.00 0.00 O ATOM 720 CB ILE A 47 1.321 8.351 -2.804 1.00 0.00 C ATOM 721 CG1 ILE A 47 0.658 7.013 -2.461 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.551 9.068 -3.904 1.00 0.00 C ATOM 723 CD1 ILE A 47 -0.789 7.138 -2.047 1.00 0.00 C ATOM 0 H ILE A 47 3.218 7.649 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 47 2.825 7.494 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 47 1.306 8.984 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.723 6.354 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.217 6.537 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.482 9.216 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.013 10.036 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.570 8.467 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.189 6.150 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.861 7.771 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.363 7.584 -2.859 1.00 0.00 H new ATOM 735 N PRO A 48 3.687 9.735 -4.838 1.00 0.00 N ATOM 736 CA PRO A 48 4.191 11.030 -5.306 1.00 0.00 C ATOM 737 C PRO A 48 3.256 12.176 -4.911 1.00 0.00 C ATOM 738 O PRO A 48 2.048 12.129 -5.157 1.00 0.00 O ATOM 739 CB PRO A 48 4.257 10.866 -6.828 1.00 0.00 C ATOM 740 CG PRO A 48 4.321 9.396 -7.052 1.00 0.00 C ATOM 741 CD PRO A 48 3.519 8.778 -5.943 1.00 0.00 C ATOM 0 HA PRO A 48 5.155 11.286 -4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.382 11.302 -7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.132 11.367 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.910 9.131 -8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.352 9.042 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.471 8.661 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.891 7.788 -5.679 1.00 0.00 H new ATOM 749 N HIS A 49 3.830 13.209 -4.310 1.00 0.00 N ATOM 750 CA HIS A 49 3.052 14.275 -3.688 1.00 0.00 C ATOM 751 C HIS A 49 2.509 15.275 -4.704 1.00 0.00 C ATOM 752 O HIS A 49 1.539 15.976 -4.423 1.00 0.00 O ATOM 753 CB HIS A 49 3.901 15.008 -2.646 1.00 0.00 C ATOM 754 CG HIS A 49 4.129 14.231 -1.381 1.00 0.00 C ATOM 755 ND1 HIS A 49 3.700 14.669 -0.146 1.00 0.00 N ATOM 756 CD2 HIS A 49 4.754 13.048 -1.159 1.00 0.00 C ATOM 757 CE1 HIS A 49 4.052 13.794 0.777 1.00 0.00 C ATOM 758 NE2 HIS A 49 4.691 12.804 0.190 1.00 0.00 N ATOM 0 H HIS A 49 4.840 13.333 -4.239 1.00 0.00 H new ATOM 0 HA HIS A 49 2.196 13.803 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.867 15.253 -3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.416 15.952 -2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.215 12.416 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.850 13.876 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.077 11.987 0.662 1.00 0.00 H new ATOM 767 N GLU A 50 3.115 15.349 -5.879 1.00 0.00 N ATOM 768 CA GLU A 50 2.699 16.337 -6.867 1.00 0.00 C ATOM 769 C GLU A 50 1.589 15.786 -7.759 1.00 0.00 C ATOM 770 O GLU A 50 0.804 16.546 -8.332 1.00 0.00 O ATOM 771 CB GLU A 50 3.884 16.809 -7.728 1.00 0.00 C ATOM 772 CG GLU A 50 4.497 15.728 -8.611 1.00 0.00 C ATOM 773 CD GLU A 50 5.384 14.771 -7.843 1.00 0.00 C ATOM 774 OE1 GLU A 50 4.853 13.852 -7.196 1.00 0.00 O ATOM 775 OE2 GLU A 50 6.622 14.946 -7.874 1.00 0.00 O ATOM 0 H GLU A 50 3.885 14.747 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 50 2.313 17.197 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.551 17.631 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.658 17.205 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.699 15.166 -9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.080 16.200 -9.402 1.00 0.00 H new ATOM 782 N THR A 51 1.527 14.467 -7.870 1.00 0.00 N ATOM 783 CA THR A 51 0.533 13.820 -8.712 1.00 0.00 C ATOM 784 C THR A 51 -0.666 13.358 -7.895 1.00 0.00 C ATOM 785 O THR A 51 -1.811 13.564 -8.292 1.00 0.00 O ATOM 786 CB THR A 51 1.142 12.627 -9.464 1.00 0.00 C ATOM 787 OG1 THR A 51 1.889 11.813 -8.553 1.00 0.00 O ATOM 788 CG2 THR A 51 2.049 13.101 -10.587 1.00 0.00 C ATOM 0 H THR A 51 2.154 13.824 -7.387 1.00 0.00 H new ATOM 0 HA THR A 51 0.193 14.558 -9.439 1.00 0.00 H new ATOM 0 HB THR A 51 0.331 12.043 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.275 11.052 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.468 12.238 -11.105 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.473 13.702 -11.291 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.857 13.703 -10.172 1.00 0.00 H new ATOM 796 N GLY A 52 -0.401 12.738 -6.750 1.00 0.00 N ATOM 797 CA GLY A 52 -1.477 12.301 -5.885 1.00 0.00 C ATOM 798 C GLY A 52 -1.916 10.879 -6.169 1.00 0.00 C ATOM 799 O GLY A 52 -3.010 10.476 -5.784 1.00 0.00 O ATOM 0 H GLY A 52 0.537 12.532 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.156 12.377 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.329 12.971 -6.005 1.00 0.00 H new ATOM 803 N PHE A 53 -1.070 10.123 -6.859 1.00 0.00 N ATOM 804 CA PHE A 53 -1.349 8.722 -7.147 1.00 0.00 C ATOM 805 C PHE A 53 -0.047 7.959 -7.357 1.00 0.00 C ATOM 806 O PHE A 53 0.951 8.540 -7.779 1.00 0.00 O ATOM 807 CB PHE A 53 -2.267 8.574 -8.373 1.00 0.00 C ATOM 808 CG PHE A 53 -1.826 9.350 -9.587 1.00 0.00 C ATOM 809 CD1 PHE A 53 -0.894 8.823 -10.468 1.00 0.00 C ATOM 810 CD2 PHE A 53 -2.351 10.607 -9.847 1.00 0.00 C ATOM 811 CE1 PHE A 53 -0.492 9.537 -11.582 1.00 0.00 C ATOM 812 CE2 PHE A 53 -1.954 11.322 -10.960 1.00 0.00 C ATOM 813 CZ PHE A 53 -1.023 10.788 -11.828 1.00 0.00 C ATOM 0 H PHE A 53 -0.182 10.459 -7.231 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.872 8.298 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.331 7.518 -8.637 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.272 8.895 -8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.477 7.844 -10.282 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.079 11.032 -9.171 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.237 9.117 -12.259 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.372 12.299 -11.151 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.711 11.347 -12.698 1.00 0.00 H new ATOM 823 N VAL A 54 -0.059 6.667 -7.059 1.00 0.00 N ATOM 824 CA VAL A 54 1.145 5.855 -7.159 1.00 0.00 C ATOM 825 C VAL A 54 0.904 4.636 -8.047 1.00 0.00 C ATOM 826 O VAL A 54 -0.174 4.035 -8.019 1.00 0.00 O ATOM 827 CB VAL A 54 1.640 5.405 -5.763 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.639 4.483 -5.088 1.00 0.00 C ATOM 829 CG2 VAL A 54 3.002 4.731 -5.858 1.00 0.00 C ATOM 0 H VAL A 54 -0.887 6.160 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 54 1.920 6.474 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 54 1.739 6.301 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.019 4.187 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.311 5.004 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.489 3.596 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.327 4.425 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.930 3.855 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.726 5.431 -6.276 1.00 0.00 H new ATOM 839 N GLU A 55 1.910 4.288 -8.838 1.00 0.00 N ATOM 840 CA GLU A 55 1.822 3.149 -9.736 1.00 0.00 C ATOM 841 C GLU A 55 2.466 1.927 -9.090 1.00 0.00 C ATOM 842 O GLU A 55 3.429 2.054 -8.326 1.00 0.00 O ATOM 843 CB GLU A 55 2.527 3.478 -11.050 1.00 0.00 C ATOM 844 CG GLU A 55 2.145 4.832 -11.634 1.00 0.00 C ATOM 845 CD GLU A 55 0.723 4.885 -12.144 1.00 0.00 C ATOM 846 OE1 GLU A 55 0.234 3.862 -12.655 1.00 0.00 O ATOM 847 OE2 GLU A 55 0.092 5.960 -12.047 1.00 0.00 O ATOM 0 H GLU A 55 2.801 4.783 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 55 0.773 2.929 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.605 3.454 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.297 2.701 -11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.279 5.599 -10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.826 5.072 -12.451 1.00 0.00 H new ATOM 854 N CYS A 56 1.941 0.751 -9.387 1.00 0.00 N ATOM 855 CA CYS A 56 2.471 -0.483 -8.826 1.00 0.00 C ATOM 856 C CYS A 56 3.032 -1.372 -9.927 1.00 0.00 C ATOM 857 O CYS A 56 2.313 -1.766 -10.845 1.00 0.00 O ATOM 858 CB CYS A 56 1.384 -1.239 -8.054 1.00 0.00 C ATOM 859 SG CYS A 56 1.968 -2.735 -7.227 1.00 0.00 S ATOM 0 H CYS A 56 1.147 0.623 -10.014 1.00 0.00 H new ATOM 0 HA CYS A 56 3.274 -0.222 -8.137 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.952 -0.571 -7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.584 -1.507 -8.744 1.00 0.00 H new ATOM 0 HG CYS A 56 0.978 -3.300 -6.602 1.00 0.00 H new ATOM 865 N GLY A 57 4.320 -1.672 -9.835 1.00 0.00 N ATOM 866 CA GLY A 57 4.938 -2.586 -10.776 1.00 0.00 C ATOM 867 C GLY A 57 4.881 -4.017 -10.282 1.00 0.00 C ATOM 868 O GLY A 57 5.306 -4.948 -10.972 1.00 0.00 O ATOM 0 H GLY A 57 4.949 -1.298 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.434 -2.513 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.977 -2.297 -10.936 1.00 0.00 H new ATOM 872 N TYR A 58 4.350 -4.184 -9.076 1.00 0.00 N ATOM 873 CA TYR A 58 4.195 -5.500 -8.479 1.00 0.00 C ATOM 874 C TYR A 58 2.903 -6.159 -8.955 1.00 0.00 C ATOM 875 O TYR A 58 2.902 -7.325 -9.358 1.00 0.00 O ATOM 876 CB TYR A 58 4.200 -5.403 -6.951 1.00 0.00 C ATOM 877 CG TYR A 58 5.367 -6.103 -6.294 1.00 0.00 C ATOM 878 CD1 TYR A 58 5.455 -7.489 -6.292 1.00 0.00 C ATOM 879 CD2 TYR A 58 6.380 -5.381 -5.679 1.00 0.00 C ATOM 880 CE1 TYR A 58 6.513 -8.136 -5.689 1.00 0.00 C ATOM 881 CE2 TYR A 58 7.444 -6.020 -5.074 1.00 0.00 C ATOM 882 CZ TYR A 58 7.507 -7.398 -5.085 1.00 0.00 C ATOM 883 OH TYR A 58 8.563 -8.044 -4.483 1.00 0.00 O ATOM 0 H TYR A 58 4.018 -3.417 -8.491 1.00 0.00 H new ATOM 0 HA TYR A 58 5.038 -6.115 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.212 -4.352 -6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.272 -5.827 -6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.681 -8.070 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.335 -4.302 -5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.562 -9.215 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.222 -5.444 -4.595 1.00 0.00 H new ATOM 0 HH TYR A 58 9.179 -7.382 -4.105 1.00 0.00 H new ATOM 893 N CYS A 59 1.803 -5.410 -8.904 1.00 0.00 N ATOM 894 CA CYS A 59 0.512 -5.920 -9.348 1.00 0.00 C ATOM 895 C CYS A 59 -0.306 -4.821 -10.026 1.00 0.00 C ATOM 896 O CYS A 59 0.132 -3.674 -10.113 1.00 0.00 O ATOM 897 CB CYS A 59 -0.262 -6.519 -8.169 1.00 0.00 C ATOM 898 SG CYS A 59 0.413 -8.085 -7.568 1.00 0.00 S ATOM 0 H CYS A 59 1.782 -4.450 -8.560 1.00 0.00 H new ATOM 0 HA CYS A 59 0.691 -6.707 -10.080 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.270 -5.800 -7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.299 -6.673 -8.468 1.00 0.00 H new ATOM 0 HG CYS A 59 1.583 -8.285 -8.098 1.00 0.00 H new ATOM 904 N ASP A 60 -1.501 -5.177 -10.483 1.00 0.00 N ATOM 905 CA ASP A 60 -2.335 -4.281 -11.273 1.00 0.00 C ATOM 906 C ASP A 60 -3.056 -3.233 -10.422 1.00 0.00 C ATOM 907 O ASP A 60 -3.950 -2.539 -10.914 1.00 0.00 O ATOM 908 CB ASP A 60 -3.366 -5.086 -12.069 1.00 0.00 C ATOM 909 CG ASP A 60 -2.723 -6.070 -13.023 1.00 0.00 C ATOM 910 OD1 ASP A 60 -2.426 -5.688 -14.176 1.00 0.00 O ATOM 911 OD2 ASP A 60 -2.503 -7.231 -12.627 1.00 0.00 O ATOM 0 H ASP A 60 -1.918 -6.093 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.666 -3.748 -11.949 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.013 -5.625 -11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.001 -4.401 -12.632 1.00 0.00 H new ATOM 916 N ARG A 61 -2.670 -3.107 -9.159 1.00 0.00 N ATOM 917 CA ARG A 61 -3.286 -2.130 -8.274 1.00 0.00 C ATOM 918 C ARG A 61 -2.740 -0.731 -8.534 1.00 0.00 C ATOM 919 O ARG A 61 -1.623 -0.567 -9.027 1.00 0.00 O ATOM 920 CB ARG A 61 -3.066 -2.487 -6.804 1.00 0.00 C ATOM 921 CG ARG A 61 -4.001 -3.558 -6.273 1.00 0.00 C ATOM 922 CD ARG A 61 -4.069 -3.507 -4.753 1.00 0.00 C ATOM 923 NE ARG A 61 -4.896 -4.573 -4.192 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.040 -4.368 -3.541 1.00 0.00 C ATOM 925 NH1 ARG A 61 -6.539 -3.144 -3.438 1.00 0.00 N ATOM 926 NH2 ARG A 61 -6.689 -5.388 -2.995 1.00 0.00 N ATOM 0 H ARG A 61 -1.936 -3.667 -8.726 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.355 -2.145 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.037 -2.823 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.186 -1.586 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.998 -3.418 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.656 -4.541 -6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.061 -3.581 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.468 -2.541 -4.443 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.577 -5.535 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.047 -2.356 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.415 -2.991 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.312 -6.333 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.565 -5.228 -2.497 1.00 0.00 H new ATOM 940 N ARG A 62 -3.545 0.266 -8.204 1.00 0.00 N ATOM 941 CA ARG A 62 -3.148 1.661 -8.336 1.00 0.00 C ATOM 942 C ARG A 62 -3.847 2.480 -7.252 1.00 0.00 C ATOM 943 O ARG A 62 -5.069 2.391 -7.090 1.00 0.00 O ATOM 944 CB ARG A 62 -3.524 2.170 -9.732 1.00 0.00 C ATOM 945 CG ARG A 62 -2.810 3.442 -10.170 1.00 0.00 C ATOM 946 CD ARG A 62 -3.308 3.882 -11.534 1.00 0.00 C ATOM 947 NE ARG A 62 -2.527 4.981 -12.087 1.00 0.00 N ATOM 948 CZ ARG A 62 -2.883 5.678 -13.158 1.00 0.00 C ATOM 949 NH1 ARG A 62 -4.008 5.392 -13.803 1.00 0.00 N ATOM 950 NH2 ARG A 62 -2.093 6.645 -13.600 1.00 0.00 N ATOM 0 H ARG A 62 -4.488 0.134 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.069 1.760 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.312 1.385 -10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.599 2.347 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.981 4.233 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.734 3.269 -10.206 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.274 3.035 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.352 4.186 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.654 5.229 -11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.605 4.632 -13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.276 5.932 -14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.218 6.849 -13.117 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.360 7.185 -14.423 1.00 0.00 H new ATOM 964 N TYR A 63 -3.079 3.252 -6.497 1.00 0.00 N ATOM 965 CA TYR A 63 -3.623 3.989 -5.363 1.00 0.00 C ATOM 966 C TYR A 63 -3.690 5.475 -5.686 1.00 0.00 C ATOM 967 O TYR A 63 -2.762 6.024 -6.282 1.00 0.00 O ATOM 968 CB TYR A 63 -2.765 3.756 -4.110 1.00 0.00 C ATOM 969 CG TYR A 63 -2.719 2.314 -3.648 1.00 0.00 C ATOM 970 CD1 TYR A 63 -1.937 1.375 -4.310 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.459 1.891 -2.551 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.893 0.060 -3.893 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.420 0.575 -2.128 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.637 -0.335 -2.804 1.00 0.00 C ATOM 975 OH TYR A 63 -2.602 -1.650 -2.392 1.00 0.00 O ATOM 0 H TYR A 63 -2.079 3.385 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.632 3.626 -5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.748 4.094 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.151 4.373 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.353 1.680 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.075 2.602 -2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.278 -0.656 -4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.000 0.262 -1.272 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.835 -2.101 -2.803 1.00 0.00 H new ATOM 985 N ILE A 64 -4.784 6.118 -5.300 1.00 0.00 N ATOM 986 CA ILE A 64 -4.990 7.526 -5.609 1.00 0.00 C ATOM 987 C ILE A 64 -5.484 8.294 -4.377 1.00 0.00 C ATOM 988 O ILE A 64 -6.175 7.737 -3.518 1.00 0.00 O ATOM 989 CB ILE A 64 -5.991 7.680 -6.776 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.024 9.126 -7.280 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.381 7.226 -6.354 1.00 0.00 C ATOM 992 CD1 ILE A 64 -6.910 9.320 -8.493 1.00 0.00 C ATOM 0 H ILE A 64 -5.543 5.686 -4.772 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.032 7.950 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.657 7.044 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.373 9.775 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.010 9.440 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.071 7.342 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.346 6.178 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.722 7.832 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.887 10.367 -8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.549 8.697 -9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.933 9.037 -8.245 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.108 9.565 -4.292 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.490 10.415 -3.175 1.00 0.00 C ATOM 1006 C HIS A 65 -6.969 10.792 -3.256 1.00 0.00 C ATOM 1007 O HIS A 65 -7.521 10.954 -4.346 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.619 11.678 -3.169 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.800 12.539 -1.959 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.510 13.713 -2.017 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -4.336 12.364 -0.698 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -5.465 14.224 -0.799 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.766 13.441 0.036 1.00 0.00 N ATOM 0 H HIS A 65 -4.532 10.032 -4.993 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.334 9.864 -2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.572 11.384 -3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.845 12.267 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.742 11.536 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.932 15.155 -0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.588 13.613 1.026 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.591 10.927 -2.087 1.00 0.00 N ATOM 1022 CA GLU A 66 -9.005 11.272 -1.954 1.00 0.00 C ATOM 1023 C GLU A 66 -9.434 12.426 -2.870 1.00 0.00 C ATOM 1024 O GLU A 66 -10.488 12.364 -3.503 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.298 11.653 -0.499 1.00 0.00 C ATOM 1026 CG GLU A 66 -8.346 12.707 0.045 1.00 0.00 C ATOM 1027 CD GLU A 66 -8.888 13.448 1.247 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -8.796 12.918 2.371 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -9.381 14.582 1.078 1.00 0.00 O ATOM 0 H GLU A 66 -7.120 10.798 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.576 10.393 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.321 12.023 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.236 10.760 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.405 12.229 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.123 13.425 -0.744 1.00 0.00 H new ATOM 1036 N SER A 67 -8.616 13.471 -2.940 1.00 0.00 N ATOM 1037 CA SER A 67 -8.988 14.686 -3.648 1.00 0.00 C ATOM 1038 C SER A 67 -9.035 14.465 -5.156 1.00 0.00 C ATOM 1039 O SER A 67 -9.797 15.122 -5.871 1.00 0.00 O ATOM 1040 CB SER A 67 -8.011 15.813 -3.303 1.00 0.00 C ATOM 1041 OG SER A 67 -8.445 17.047 -3.849 1.00 0.00 O ATOM 0 H SER A 67 -7.690 13.499 -2.514 1.00 0.00 H new ATOM 0 HA SER A 67 -9.990 14.969 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.921 15.902 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.020 15.570 -3.687 1.00 0.00 H new ATOM 0 HG SER A 67 -7.806 17.752 -3.614 1.00 0.00 H new ATOM 1047 N PHE A 68 -8.233 13.534 -5.636 1.00 0.00 N ATOM 1048 CA PHE A 68 -8.165 13.250 -7.055 1.00 0.00 C ATOM 1049 C PHE A 68 -9.191 12.192 -7.437 1.00 0.00 C ATOM 1050 O PHE A 68 -9.509 12.014 -8.610 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.756 12.789 -7.420 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.714 13.863 -7.275 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -5.112 14.107 -6.050 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -5.337 14.631 -8.366 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -4.155 15.096 -5.916 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -4.381 15.621 -8.236 1.00 0.00 C ATOM 1057 CZ PHE A 68 -3.790 15.853 -7.011 1.00 0.00 C ATOM 0 H PHE A 68 -7.617 12.960 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.394 14.159 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.484 11.943 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.755 12.431 -8.449 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.394 13.517 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.795 14.454 -9.328 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.694 15.276 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.097 16.213 -9.093 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.043 16.626 -6.909 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.724 11.519 -6.433 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.689 10.449 -6.644 1.00 0.00 C ATOM 1069 C ALA A 69 -12.120 10.957 -6.479 1.00 0.00 C ATOM 1070 O ALA A 69 -13.029 10.202 -6.124 1.00 0.00 O ATOM 1071 CB ALA A 69 -10.416 9.314 -5.671 1.00 0.00 C ATOM 0 H ALA A 69 -9.503 11.695 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.581 10.083 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.140 8.515 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.409 8.930 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.503 9.682 -4.649 1.00 0.00 H new ATOM 1077 N ALA A 70 -12.325 12.232 -6.781 1.00 0.00 N ATOM 1078 CA ALA A 70 -13.625 12.873 -6.611 1.00 0.00 C ATOM 1079 C ALA A 70 -14.558 12.572 -7.782 1.00 0.00 C ATOM 1080 O ALA A 70 -15.385 13.401 -8.159 1.00 0.00 O ATOM 1081 CB ALA A 70 -13.443 14.374 -6.449 1.00 0.00 C ATOM 0 H ALA A 70 -11.601 12.849 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.088 12.467 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.417 14.847 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.826 14.573 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.955 14.779 -7.336 1.00 0.00 H new ATOM 1087 N ALA A 71 -14.433 11.378 -8.345 1.00 0.00 N ATOM 1088 CA ALA A 71 -15.276 10.959 -9.460 1.00 0.00 C ATOM 1089 C ALA A 71 -16.667 10.569 -8.967 1.00 0.00 C ATOM 1090 O ALA A 71 -17.655 10.655 -9.702 1.00 0.00 O ATOM 1091 CB ALA A 71 -14.626 9.797 -10.202 1.00 0.00 C ATOM 0 H ALA A 71 -13.753 10.678 -8.047 1.00 0.00 H new ATOM 0 HA ALA A 71 -15.383 11.797 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.264 9.493 -11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.655 10.108 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.494 8.958 -9.519 1.00 0.00 H new ATOM 1097 N LYS A 72 -16.739 10.141 -7.714 1.00 0.00 N ATOM 1098 CA LYS A 72 -18.004 9.743 -7.113 1.00 0.00 C ATOM 1099 C LYS A 72 -18.465 10.808 -6.124 1.00 0.00 C ATOM 1100 O LYS A 72 -17.855 11.874 -6.022 1.00 0.00 O ATOM 1101 CB LYS A 72 -17.859 8.391 -6.406 1.00 0.00 C ATOM 1102 CG LYS A 72 -17.251 7.302 -7.282 1.00 0.00 C ATOM 1103 CD LYS A 72 -17.252 5.947 -6.586 1.00 0.00 C ATOM 1104 CE LYS A 72 -18.662 5.396 -6.437 1.00 0.00 C ATOM 1105 NZ LYS A 72 -18.675 4.052 -5.797 1.00 0.00 N ATOM 0 H LYS A 72 -15.934 10.061 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 72 -18.751 9.642 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.239 8.520 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.841 8.063 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.811 7.232 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.229 7.575 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.644 5.244 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.792 6.042 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.259 6.086 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.132 5.334 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.656 3.716 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.127 3.386 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.251 4.115 -4.849 1.00 0.00 H new ATOM 1119 N LEU A 73 -19.540 10.528 -5.402 1.00 0.00 N ATOM 1120 CA LEU A 73 -20.035 11.452 -4.391 1.00 0.00 C ATOM 1121 C LEU A 73 -19.110 11.453 -3.181 1.00 0.00 C ATOM 1122 O LEU A 73 -18.587 10.411 -2.785 1.00 0.00 O ATOM 1123 CB LEU A 73 -21.461 11.085 -3.977 1.00 0.00 C ATOM 1124 CG LEU A 73 -22.504 11.211 -5.088 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -23.873 10.792 -4.582 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -22.541 12.635 -5.619 1.00 0.00 C ATOM 0 H LEU A 73 -20.085 9.671 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.052 12.455 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -21.465 10.059 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -21.758 11.723 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 73 -22.224 10.546 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -24.603 10.888 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -23.836 9.755 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -24.164 11.432 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -23.288 12.709 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -22.799 13.318 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -21.562 12.900 -6.019 1.00 0.00 H new ATOM 1138 N GLU A 74 -18.907 12.622 -2.598 1.00 0.00 N ATOM 1139 CA GLU A 74 -17.957 12.769 -1.508 1.00 0.00 C ATOM 1140 C GLU A 74 -18.660 12.991 -0.173 1.00 0.00 C ATOM 1141 O GLU A 74 -19.890 13.031 -0.095 1.00 0.00 O ATOM 1142 CB GLU A 74 -17.011 13.936 -1.788 1.00 0.00 C ATOM 1143 CG GLU A 74 -17.725 15.263 -1.971 1.00 0.00 C ATOM 1144 CD GLU A 74 -16.775 16.437 -1.923 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -16.206 16.791 -2.973 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -16.594 17.007 -0.825 1.00 0.00 O ATOM 0 H GLU A 74 -19.387 13.483 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.388 11.842 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -16.302 14.024 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.432 13.717 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.250 15.262 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.480 15.377 -1.193 1.00 0.00 H new ATOM 1153 N HIS A 75 -17.851 13.130 0.870 1.00 0.00 N ATOM 1154 CA HIS A 75 -18.329 13.407 2.218 1.00 0.00 C ATOM 1155 C HIS A 75 -17.246 14.203 2.942 1.00 0.00 C ATOM 1156 O HIS A 75 -17.006 14.033 4.135 1.00 0.00 O ATOM 1157 CB HIS A 75 -18.626 12.086 2.949 1.00 0.00 C ATOM 1158 CG HIS A 75 -19.464 12.237 4.184 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -20.841 12.238 4.156 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -19.118 12.377 5.485 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -21.305 12.371 5.381 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -20.281 12.457 6.206 1.00 0.00 N ATOM 0 H HIS A 75 -16.836 13.053 0.803 1.00 0.00 H new ATOM 0 HA HIS A 75 -19.253 13.984 2.192 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -19.133 11.410 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.681 11.615 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.114 12.418 5.881 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -22.347 12.404 5.662 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.344 12.566 7.218 1.00 0.00 H new ATOM 1171 N HIS A 76 -16.593 15.090 2.199 1.00 0.00 N ATOM 1172 CA HIS A 76 -15.435 15.817 2.708 1.00 0.00 C ATOM 1173 C HIS A 76 -15.851 17.154 3.328 1.00 0.00 C ATOM 1174 O HIS A 76 -15.007 17.944 3.751 1.00 0.00 O ATOM 1175 CB HIS A 76 -14.425 16.046 1.579 1.00 0.00 C ATOM 1176 CG HIS A 76 -13.032 16.310 2.058 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -12.357 17.483 1.811 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -12.182 15.532 2.765 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -11.154 17.415 2.343 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -11.021 16.240 2.929 1.00 0.00 N ATOM 0 H HIS A 76 -16.847 15.324 1.239 1.00 0.00 H new ATOM 0 HA HIS A 76 -14.969 15.216 3.489 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.416 15.171 0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.757 16.889 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.382 14.536 3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -10.403 18.190 2.306 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -10.190 15.913 3.423 1.00 0.00 H new ATOM 1189 N HIS A 77 -17.156 17.391 3.392 1.00 0.00 N ATOM 1190 CA HIS A 77 -17.684 18.621 3.970 1.00 0.00 C ATOM 1191 C HIS A 77 -17.566 18.570 5.492 1.00 0.00 C ATOM 1192 O HIS A 77 -18.375 17.928 6.170 1.00 0.00 O ATOM 1193 CB HIS A 77 -19.148 18.836 3.544 1.00 0.00 C ATOM 1194 CG HIS A 77 -19.764 20.110 4.053 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -19.922 21.244 3.280 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -20.290 20.416 5.265 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -20.516 22.183 3.995 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -20.748 21.707 5.201 1.00 0.00 N ATOM 0 H HIS A 77 -17.869 16.747 3.050 1.00 0.00 H new ATOM 0 HA HIS A 77 -17.100 19.464 3.600 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -19.201 18.831 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -19.743 17.993 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -20.339 19.763 6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -20.769 23.174 3.649 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -21.196 22.216 5.963 1.00 0.00 H new ATOM 1207 N HIS A 78 -16.533 19.226 6.010 1.00 0.00 N ATOM 1208 CA HIS A 78 -16.278 19.289 7.447 1.00 0.00 C ATOM 1209 C HIS A 78 -15.215 20.350 7.726 1.00 0.00 C ATOM 1210 O HIS A 78 -15.289 21.086 8.709 1.00 0.00 O ATOM 1211 CB HIS A 78 -15.825 17.920 7.977 1.00 0.00 C ATOM 1212 CG HIS A 78 -15.717 17.851 9.470 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -16.761 18.157 10.313 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -14.679 17.509 10.270 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -16.373 18.011 11.565 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -15.113 17.618 11.567 1.00 0.00 N ATOM 0 H HIS A 78 -15.848 19.730 5.446 1.00 0.00 H new ATOM 0 HA HIS A 78 -17.200 19.560 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -16.529 17.160 7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -14.856 17.675 7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -13.694 17.207 9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -16.983 18.184 12.440 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.553 17.426 12.398 1.00 0.00 H new ATOM 1225 N HIS A 79 -14.216 20.398 6.858 1.00 0.00 N ATOM 1226 CA HIS A 79 -13.235 21.476 6.845 1.00 0.00 C ATOM 1227 C HIS A 79 -13.055 21.941 5.410 1.00 0.00 C ATOM 1228 O HIS A 79 -13.200 21.146 4.478 1.00 0.00 O ATOM 1229 CB HIS A 79 -11.883 21.040 7.431 1.00 0.00 C ATOM 1230 CG HIS A 79 -11.805 21.110 8.927 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -11.032 22.036 9.595 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -12.383 20.351 9.887 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -11.135 21.841 10.894 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -11.952 20.824 11.100 1.00 0.00 N ATOM 0 H HIS A 79 -14.061 19.690 6.141 1.00 0.00 H new ATOM 0 HA HIS A 79 -13.603 22.288 7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.677 20.017 7.116 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.098 21.668 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.060 19.524 9.727 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.636 22.415 11.660 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.219 20.452 12.011 1.00 0.00 H new ATOM 1243 N HIS A 80 -12.756 23.210 5.221 1.00 0.00 N ATOM 1244 CA HIS A 80 -12.680 23.769 3.886 1.00 0.00 C ATOM 1245 C HIS A 80 -11.350 24.481 3.697 1.00 0.00 C ATOM 1246 O HIS A 80 -11.273 25.688 3.996 1.00 0.00 O ATOM 1247 CB HIS A 80 -13.853 24.729 3.653 1.00 0.00 C ATOM 1248 CG HIS A 80 -13.925 25.282 2.264 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -13.644 26.598 1.972 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -14.261 24.700 1.087 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -13.805 26.803 0.679 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -14.178 25.671 0.119 1.00 0.00 N ATOM 1253 OXT HIS A 80 -10.383 23.827 3.258 1.00 0.00 O ATOM 0 H HIS A 80 -12.562 23.872 5.972 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.745 22.964 3.154 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.784 24.207 3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.777 25.557 4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.541 23.668 0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.656 27.742 0.166 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -14.374 25.537 -0.873 1.00 0.00 H new TER 1262 HIS A 80