USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 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 65 HIS : no HD1:sc= 1.64 K(o=3,f=-11!) USER MOD Set 1.2: A 67 SER OG : rot -101:sc= 1.36 USER MOD Set 2.1: A 31 CYS SG : rot -104:sc= 0.86 USER MOD Set 2.2: A 40 HIS : no HE2:sc= 0.485 K(o=1.1,f=-9.1!) USER MOD Set 2.3: A 56 CYS SG : rot 180:sc= -0.495 USER MOD Set 2.4: A 63 TYR OH : rot 17:sc= 0.214 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 11 SER OG : rot 89:sc= 0.164 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.023 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -49:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0056 X(o=-0.0056,f=-0.0044) USER MOD Single : A 51 THR OG1 : rot 132:sc= 0.067 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -121:sc= -3.25! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 78 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,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 7.066 -16.113 5.298 1.00 0.00 N ATOM 2 CA MET A 1 8.053 -15.713 4.272 1.00 0.00 C ATOM 3 C MET A 1 8.596 -16.936 3.536 1.00 0.00 C ATOM 4 O MET A 1 9.327 -17.741 4.115 1.00 0.00 O ATOM 5 CB MET A 1 9.206 -14.946 4.933 1.00 0.00 C ATOM 6 CG MET A 1 10.302 -14.523 3.967 1.00 0.00 C ATOM 7 SD MET A 1 11.640 -13.628 4.784 1.00 0.00 S ATOM 8 CE MET A 1 12.762 -13.375 3.408 1.00 0.00 C ATOM 0 H1 MET A 1 6.710 -15.266 5.786 1.00 0.00 H new ATOM 0 H2 MET A 1 6.274 -16.609 4.843 1.00 0.00 H new ATOM 0 H3 MET A 1 7.519 -16.745 5.988 1.00 0.00 H new ATOM 0 HA MET A 1 7.557 -15.068 3.547 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.805 -14.058 5.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.644 -15.570 5.713 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.708 -15.407 3.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.872 -13.894 3.188 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.643 -12.833 3.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.065 -14.341 3.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.261 -12.798 2.631 1.00 0.00 H new ATOM 20 N ARG A 2 8.216 -17.082 2.271 1.00 0.00 N ATOM 21 CA ARG A 2 8.758 -18.138 1.421 1.00 0.00 C ATOM 22 C ARG A 2 10.254 -17.921 1.215 1.00 0.00 C ATOM 23 O ARG A 2 10.665 -16.931 0.610 1.00 0.00 O ATOM 24 CB ARG A 2 8.034 -18.149 0.073 1.00 0.00 C ATOM 25 CG ARG A 2 8.491 -19.256 -0.861 1.00 0.00 C ATOM 26 CD ARG A 2 7.810 -19.155 -2.217 1.00 0.00 C ATOM 27 NE ARG A 2 6.358 -19.325 -2.125 1.00 0.00 N ATOM 28 CZ ARG A 2 5.475 -18.562 -2.764 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.887 -17.552 -3.522 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.174 -18.799 -2.640 1.00 0.00 N ATOM 0 H ARG A 2 7.533 -16.481 1.810 1.00 0.00 H new ATOM 0 HA ARG A 2 8.605 -19.101 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.963 -18.253 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.185 -17.187 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.572 -19.202 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.272 -20.225 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.032 -18.185 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.221 -19.913 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 2 6.001 -20.076 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.884 -17.359 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.206 -16.970 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.849 -19.568 -2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.500 -18.212 -3.131 1.00 0.00 H new ATOM 44 N ARG A 3 11.063 -18.843 1.720 1.00 0.00 N ATOM 45 CA ARG A 3 12.509 -18.672 1.698 1.00 0.00 C ATOM 46 C ARG A 3 13.115 -19.174 0.391 1.00 0.00 C ATOM 47 O ARG A 3 13.704 -20.257 0.352 1.00 0.00 O ATOM 48 CB ARG A 3 13.158 -19.403 2.873 1.00 0.00 C ATOM 49 CG ARG A 3 12.541 -19.087 4.223 1.00 0.00 C ATOM 50 CD ARG A 3 13.428 -19.575 5.355 1.00 0.00 C ATOM 51 NE ARG A 3 14.664 -18.800 5.437 1.00 0.00 N ATOM 52 CZ ARG A 3 15.882 -19.301 5.240 1.00 0.00 C ATOM 53 NH1 ARG A 3 16.042 -20.599 4.988 1.00 0.00 N ATOM 54 NH2 ARG A 3 16.940 -18.501 5.292 1.00 0.00 N ATOM 0 H ARG A 3 10.744 -19.712 2.148 1.00 0.00 H new ATOM 0 HA ARG A 3 12.707 -17.603 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.092 -20.477 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.218 -19.150 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.388 -18.012 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.560 -19.556 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.888 -19.502 6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.666 -20.628 5.204 1.00 0.00 H new ATOM 0 HE ARG A 3 14.589 -17.808 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.229 -21.214 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.977 -20.978 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.818 -17.506 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.875 -18.881 5.142 1.00 0.00 H new ATOM 68 N GLN A 4 12.937 -18.404 -0.677 1.00 0.00 N ATOM 69 CA GLN A 4 13.569 -18.698 -1.954 1.00 0.00 C ATOM 70 C GLN A 4 13.406 -17.523 -2.916 1.00 0.00 C ATOM 71 O GLN A 4 12.290 -17.071 -3.184 1.00 0.00 O ATOM 72 CB GLN A 4 13.010 -19.989 -2.567 1.00 0.00 C ATOM 73 CG GLN A 4 11.540 -19.925 -2.954 1.00 0.00 C ATOM 74 CD GLN A 4 11.008 -21.254 -3.454 1.00 0.00 C ATOM 75 OE1 GLN A 4 9.819 -21.545 -3.324 1.00 0.00 O ATOM 76 NE2 GLN A 4 11.883 -22.077 -4.011 1.00 0.00 N ATOM 0 H GLN A 4 12.355 -17.566 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 4 14.633 -18.851 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.594 -20.237 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.149 -20.803 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.955 -19.605 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.405 -19.170 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.860 -21.798 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.580 -22.990 -4.351 1.00 0.00 H new ATOM 85 N PRO A 5 14.526 -17.001 -3.435 1.00 0.00 N ATOM 86 CA PRO A 5 14.535 -15.867 -4.359 1.00 0.00 C ATOM 87 C PRO A 5 14.246 -16.294 -5.797 1.00 0.00 C ATOM 88 O PRO A 5 14.919 -15.864 -6.737 1.00 0.00 O ATOM 89 CB PRO A 5 15.970 -15.320 -4.243 1.00 0.00 C ATOM 90 CG PRO A 5 16.669 -16.181 -3.236 1.00 0.00 C ATOM 91 CD PRO A 5 15.887 -17.459 -3.152 1.00 0.00 C ATOM 0 HA PRO A 5 13.765 -15.136 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 5 16.479 -15.357 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.964 -14.277 -3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.698 -16.375 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.710 -15.687 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.229 -18.195 -3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.966 -17.922 -2.168 1.00 0.00 H new ATOM 99 N LYS A 6 13.235 -17.134 -5.959 1.00 0.00 N ATOM 100 CA LYS A 6 12.862 -17.632 -7.275 1.00 0.00 C ATOM 101 C LYS A 6 11.880 -16.671 -7.939 1.00 0.00 C ATOM 102 O LYS A 6 10.679 -16.690 -7.654 1.00 0.00 O ATOM 103 CB LYS A 6 12.257 -19.035 -7.171 1.00 0.00 C ATOM 104 CG LYS A 6 12.015 -19.699 -8.522 1.00 0.00 C ATOM 105 CD LYS A 6 11.426 -21.096 -8.374 1.00 0.00 C ATOM 106 CE LYS A 6 12.341 -22.014 -7.576 1.00 0.00 C ATOM 107 NZ LYS A 6 11.833 -23.411 -7.534 1.00 0.00 N ATOM 0 H LYS A 6 12.658 -17.486 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 6 13.759 -17.696 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.922 -19.665 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.312 -18.975 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.339 -19.081 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.955 -19.758 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.456 -21.031 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.253 -21.524 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.338 -22.004 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.439 -21.633 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.486 -24.001 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.893 -23.425 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.764 -23.785 -8.502 1.00 0.00 H new ATOM 121 N THR A 7 12.406 -15.826 -8.806 1.00 0.00 N ATOM 122 CA THR A 7 11.610 -14.813 -9.475 1.00 0.00 C ATOM 123 C THR A 7 11.808 -14.893 -10.990 1.00 0.00 C ATOM 124 O THR A 7 12.931 -15.069 -11.468 1.00 0.00 O ATOM 125 CB THR A 7 11.994 -13.402 -8.974 1.00 0.00 C ATOM 126 OG1 THR A 7 11.904 -13.351 -7.541 1.00 0.00 O ATOM 127 CG2 THR A 7 11.091 -12.333 -9.582 1.00 0.00 C ATOM 0 H THR A 7 13.392 -15.822 -9.066 1.00 0.00 H new ATOM 0 HA THR A 7 10.561 -14.997 -9.243 1.00 0.00 H new ATOM 0 HB THR A 7 13.019 -13.201 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.150 -12.455 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.387 -11.352 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.184 -12.352 -10.668 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.056 -12.530 -9.303 1.00 0.00 H new ATOM 135 N ARG A 8 10.716 -14.779 -11.737 1.00 0.00 N ATOM 136 CA ARG A 8 10.774 -14.812 -13.192 1.00 0.00 C ATOM 137 C ARG A 8 9.708 -13.887 -13.772 1.00 0.00 C ATOM 138 O ARG A 8 8.512 -14.162 -13.662 1.00 0.00 O ATOM 139 CB ARG A 8 10.575 -16.241 -13.704 1.00 0.00 C ATOM 140 CG ARG A 8 10.764 -16.377 -15.201 1.00 0.00 C ATOM 141 CD ARG A 8 10.503 -17.797 -15.659 1.00 0.00 C ATOM 142 NE ARG A 8 10.667 -17.943 -17.099 1.00 0.00 N ATOM 143 CZ ARG A 8 9.664 -18.159 -17.945 1.00 0.00 C ATOM 144 NH1 ARG A 8 8.414 -18.217 -17.502 1.00 0.00 N ATOM 145 NH2 ARG A 8 9.912 -18.312 -19.238 1.00 0.00 N ATOM 0 H ARG A 8 9.777 -14.663 -11.356 1.00 0.00 H new ATOM 0 HA ARG A 8 11.757 -14.467 -13.514 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.277 -16.902 -13.195 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.572 -16.577 -13.440 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.089 -15.695 -15.719 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.779 -16.086 -15.470 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.185 -18.475 -15.146 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.491 -18.089 -15.378 1.00 0.00 H new ATOM 0 HE ARG A 8 11.610 -17.875 -17.482 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.219 -18.096 -16.508 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.649 -18.383 -18.155 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.871 -18.264 -19.583 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.144 -18.478 -19.888 1.00 0.00 H new ATOM 159 N GLN A 9 10.148 -12.796 -14.391 1.00 0.00 N ATOM 160 CA GLN A 9 9.240 -11.757 -14.872 1.00 0.00 C ATOM 161 C GLN A 9 8.830 -11.985 -16.331 1.00 0.00 C ATOM 162 O GLN A 9 8.548 -11.035 -17.059 1.00 0.00 O ATOM 163 CB GLN A 9 9.902 -10.386 -14.709 1.00 0.00 C ATOM 164 CG GLN A 9 10.136 -10.004 -13.257 1.00 0.00 C ATOM 165 CD GLN A 9 10.819 -8.659 -13.107 1.00 0.00 C ATOM 166 OE1 GLN A 9 10.668 -7.773 -13.946 1.00 0.00 O ATOM 167 NE2 GLN A 9 11.564 -8.493 -12.028 1.00 0.00 N ATOM 0 H GLN A 9 11.134 -12.607 -14.573 1.00 0.00 H new ATOM 0 HA GLN A 9 8.330 -11.798 -14.274 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.856 -10.385 -15.237 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.276 -9.629 -15.181 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.180 -9.982 -12.733 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.744 -10.771 -12.778 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.664 -9.253 -11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.039 -7.605 -11.868 1.00 0.00 H new ATOM 176 N GLU A 10 8.783 -13.244 -16.744 1.00 0.00 N ATOM 177 CA GLU A 10 8.333 -13.596 -18.088 1.00 0.00 C ATOM 178 C GLU A 10 7.072 -14.447 -18.017 1.00 0.00 C ATOM 179 O GLU A 10 6.726 -15.162 -18.959 1.00 0.00 O ATOM 180 CB GLU A 10 9.434 -14.341 -18.845 1.00 0.00 C ATOM 181 CG GLU A 10 10.501 -13.429 -19.427 1.00 0.00 C ATOM 182 CD GLU A 10 9.944 -12.494 -20.483 1.00 0.00 C ATOM 183 OE1 GLU A 10 9.643 -12.967 -21.599 1.00 0.00 O ATOM 184 OE2 GLU A 10 9.807 -11.283 -20.211 1.00 0.00 O ATOM 0 H GLU A 10 9.051 -14.042 -16.168 1.00 0.00 H new ATOM 0 HA GLU A 10 8.105 -12.677 -18.627 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.907 -15.055 -18.170 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.982 -14.917 -19.652 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.951 -12.842 -18.626 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.295 -14.035 -19.863 1.00 0.00 H new ATOM 191 N SER A 11 6.376 -14.344 -16.901 1.00 0.00 N ATOM 192 CA SER A 11 5.179 -15.131 -16.673 1.00 0.00 C ATOM 193 C SER A 11 3.930 -14.303 -16.965 1.00 0.00 C ATOM 194 O SER A 11 3.621 -13.355 -16.245 1.00 0.00 O ATOM 195 CB SER A 11 5.162 -15.629 -15.227 1.00 0.00 C ATOM 196 OG SER A 11 6.420 -16.189 -14.868 1.00 0.00 O ATOM 0 H SER A 11 6.621 -13.719 -16.133 1.00 0.00 H new ATOM 0 HA SER A 11 5.184 -15.988 -17.347 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.922 -14.804 -14.557 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.378 -16.377 -15.105 1.00 0.00 H new ATOM 0 HG SER A 11 7.000 -15.486 -14.507 1.00 0.00 H new ATOM 202 N ALA A 12 3.225 -14.653 -18.034 1.00 0.00 N ATOM 203 CA ALA A 12 1.999 -13.957 -18.398 1.00 0.00 C ATOM 204 C ALA A 12 0.884 -14.947 -18.703 1.00 0.00 C ATOM 205 O ALA A 12 0.798 -15.478 -19.811 1.00 0.00 O ATOM 206 CB ALA A 12 2.234 -13.042 -19.589 1.00 0.00 C ATOM 0 H ALA A 12 3.482 -15.414 -18.663 1.00 0.00 H new ATOM 0 HA ALA A 12 1.693 -13.347 -17.548 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.305 -12.532 -19.845 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.996 -12.304 -19.336 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.570 -13.633 -20.441 1.00 0.00 H new ATOM 212 N ARG A 13 0.039 -15.200 -17.712 1.00 0.00 N ATOM 213 CA ARG A 13 -1.062 -16.142 -17.866 1.00 0.00 C ATOM 214 C ARG A 13 -2.322 -15.563 -17.228 1.00 0.00 C ATOM 215 O ARG A 13 -2.239 -14.579 -16.494 1.00 0.00 O ATOM 216 CB ARG A 13 -0.710 -17.488 -17.211 1.00 0.00 C ATOM 217 CG ARG A 13 -1.581 -18.646 -17.681 1.00 0.00 C ATOM 218 CD ARG A 13 -1.495 -19.836 -16.737 1.00 0.00 C ATOM 219 NE ARG A 13 -0.136 -20.368 -16.613 1.00 0.00 N ATOM 220 CZ ARG A 13 0.285 -21.091 -15.571 1.00 0.00 C ATOM 221 NH1 ARG A 13 -0.527 -21.319 -14.546 1.00 0.00 N ATOM 222 NH2 ARG A 13 1.519 -21.579 -15.557 1.00 0.00 N ATOM 0 H ARG A 13 0.095 -14.765 -16.791 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.240 -16.310 -18.928 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.334 -17.722 -17.421 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.803 -17.391 -16.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.617 -18.315 -17.755 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.271 -18.952 -18.680 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.855 -19.539 -15.752 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.157 -20.625 -17.093 1.00 0.00 H new ATOM 0 HE ARG A 13 0.526 -20.176 -17.364 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.475 -20.942 -14.553 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.203 -21.871 -13.752 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.146 -21.402 -16.342 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.840 -22.131 -14.762 1.00 0.00 H new ATOM 236 N MET A 14 -3.472 -16.176 -17.526 1.00 0.00 N ATOM 237 CA MET A 14 -4.766 -15.789 -16.949 1.00 0.00 C ATOM 238 C MET A 14 -5.319 -14.525 -17.598 1.00 0.00 C ATOM 239 O MET A 14 -4.624 -13.825 -18.334 1.00 0.00 O ATOM 240 CB MET A 14 -4.682 -15.582 -15.429 1.00 0.00 C ATOM 241 CG MET A 14 -4.455 -16.857 -14.637 1.00 0.00 C ATOM 242 SD MET A 14 -4.308 -16.537 -12.869 1.00 0.00 S ATOM 243 CE MET A 14 -4.133 -18.200 -12.229 1.00 0.00 C ATOM 0 H MET A 14 -3.533 -16.959 -18.177 1.00 0.00 H new ATOM 0 HA MET A 14 -5.444 -16.618 -17.151 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.872 -14.885 -15.213 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.605 -15.114 -15.086 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.282 -17.545 -14.813 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.550 -17.348 -14.993 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.032 -18.164 -11.144 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.014 -18.786 -12.492 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.246 -18.665 -12.661 1.00 0.00 H new ATOM 253 N SER A 15 -6.591 -14.264 -17.335 1.00 0.00 N ATOM 254 CA SER A 15 -7.250 -13.049 -17.793 1.00 0.00 C ATOM 255 C SER A 15 -8.369 -12.685 -16.823 1.00 0.00 C ATOM 256 O SER A 15 -9.346 -13.424 -16.686 1.00 0.00 O ATOM 257 CB SER A 15 -7.816 -13.244 -19.201 1.00 0.00 C ATOM 258 OG SER A 15 -6.797 -13.619 -20.115 1.00 0.00 O ATOM 0 H SER A 15 -7.195 -14.887 -16.799 1.00 0.00 H new ATOM 0 HA SER A 15 -6.521 -12.239 -17.827 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.591 -14.010 -19.182 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.288 -12.321 -19.537 1.00 0.00 H new ATOM 0 HG SER A 15 -7.185 -13.739 -21.007 1.00 0.00 H new ATOM 264 N ILE A 16 -8.214 -11.559 -16.142 1.00 0.00 N ATOM 265 CA ILE A 16 -9.143 -11.155 -15.115 1.00 0.00 C ATOM 266 C ILE A 16 -9.798 -9.822 -15.449 1.00 0.00 C ATOM 267 O ILE A 16 -9.212 -8.985 -16.133 1.00 0.00 O ATOM 268 CB ILE A 16 -8.438 -11.050 -13.748 1.00 0.00 C ATOM 269 CG1 ILE A 16 -6.962 -10.640 -13.900 1.00 0.00 C ATOM 270 CG2 ILE A 16 -8.553 -12.358 -12.979 1.00 0.00 C ATOM 271 CD1 ILE A 16 -6.746 -9.178 -14.244 1.00 0.00 C ATOM 0 H ILE A 16 -7.443 -10.908 -16.290 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.917 -11.921 -15.064 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.942 -10.268 -13.180 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.439 -10.862 -12.970 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.506 -11.254 -14.677 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.048 -12.261 -12.018 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.605 -12.592 -12.815 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.088 -13.160 -13.553 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.678 -8.979 -14.332 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.236 -8.951 -15.191 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.168 -8.553 -13.457 1.00 0.00 H new ATOM 283 N GLU A 17 -11.018 -9.635 -14.979 1.00 0.00 N ATOM 284 CA GLU A 17 -11.692 -8.358 -15.123 1.00 0.00 C ATOM 285 C GLU A 17 -11.854 -7.701 -13.756 1.00 0.00 C ATOM 286 O GLU A 17 -12.932 -7.729 -13.155 1.00 0.00 O ATOM 287 CB GLU A 17 -13.052 -8.526 -15.803 1.00 0.00 C ATOM 288 CG GLU A 17 -13.778 -7.210 -16.024 1.00 0.00 C ATOM 289 CD GLU A 17 -15.117 -7.379 -16.705 1.00 0.00 C ATOM 290 OE1 GLU A 17 -16.110 -7.671 -16.007 1.00 0.00 O ATOM 291 OE2 GLU A 17 -15.185 -7.200 -17.937 1.00 0.00 O ATOM 0 H GLU A 17 -11.561 -10.350 -14.495 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.081 -7.715 -15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.912 -9.022 -16.764 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.677 -9.180 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.925 -6.717 -15.063 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.151 -6.553 -16.626 1.00 0.00 H new ATOM 298 N ALA A 18 -10.766 -7.139 -13.255 1.00 0.00 N ATOM 299 CA ALA A 18 -10.773 -6.474 -11.963 1.00 0.00 C ATOM 300 C ALA A 18 -9.545 -5.590 -11.810 1.00 0.00 C ATOM 301 O ALA A 18 -8.526 -6.016 -11.261 1.00 0.00 O ATOM 302 CB ALA A 18 -10.844 -7.487 -10.827 1.00 0.00 C ATOM 0 H ALA A 18 -9.862 -7.131 -13.727 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.662 -5.846 -11.913 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.848 -6.962 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.756 -8.076 -10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.979 -8.148 -10.874 1.00 0.00 H new ATOM 308 N PRO A 19 -9.605 -4.358 -12.336 1.00 0.00 N ATOM 309 CA PRO A 19 -8.526 -3.392 -12.161 1.00 0.00 C ATOM 310 C PRO A 19 -8.491 -2.859 -10.733 1.00 0.00 C ATOM 311 O PRO A 19 -9.380 -2.117 -10.309 1.00 0.00 O ATOM 312 CB PRO A 19 -8.870 -2.278 -13.149 1.00 0.00 C ATOM 313 CG PRO A 19 -10.346 -2.363 -13.328 1.00 0.00 C ATOM 314 CD PRO A 19 -10.716 -3.813 -13.144 1.00 0.00 C ATOM 0 HA PRO A 19 -7.542 -3.827 -12.339 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.575 -1.303 -12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.349 -2.416 -14.096 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.862 -1.736 -12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.638 -2.011 -14.317 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.673 -3.920 -12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.806 -4.328 -14.101 1.00 0.00 H new ATOM 322 N GLU A 20 -7.471 -3.256 -9.993 1.00 0.00 N ATOM 323 CA GLU A 20 -7.370 -2.907 -8.585 1.00 0.00 C ATOM 324 C GLU A 20 -6.993 -1.447 -8.391 1.00 0.00 C ATOM 325 O GLU A 20 -5.816 -1.083 -8.372 1.00 0.00 O ATOM 326 CB GLU A 20 -6.377 -3.822 -7.871 1.00 0.00 C ATOM 327 CG GLU A 20 -7.018 -5.082 -7.312 1.00 0.00 C ATOM 328 CD GLU A 20 -8.003 -4.772 -6.203 1.00 0.00 C ATOM 329 OE1 GLU A 20 -7.552 -4.394 -5.101 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.225 -4.911 -6.419 1.00 0.00 O ATOM 0 H GLU A 20 -6.698 -3.822 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.355 -3.051 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.586 -4.103 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.905 -3.271 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.530 -5.615 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.242 -5.746 -6.933 1.00 0.00 H new ATOM 337 N THR A 21 -8.009 -0.614 -8.278 1.00 0.00 N ATOM 338 CA THR A 21 -7.825 0.792 -7.991 1.00 0.00 C ATOM 339 C THR A 21 -8.379 1.099 -6.606 1.00 0.00 C ATOM 340 O THR A 21 -9.542 0.809 -6.312 1.00 0.00 O ATOM 341 CB THR A 21 -8.525 1.666 -9.044 1.00 0.00 C ATOM 342 OG1 THR A 21 -8.182 1.192 -10.355 1.00 0.00 O ATOM 343 CG2 THR A 21 -8.113 3.123 -8.903 1.00 0.00 C ATOM 0 H THR A 21 -8.984 -0.894 -8.383 1.00 0.00 H new ATOM 0 HA THR A 21 -6.759 1.019 -8.020 1.00 0.00 H new ATOM 0 HB THR A 21 -9.602 1.600 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.628 1.745 -11.030 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.622 3.720 -9.660 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.386 3.484 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.035 3.211 -9.037 1.00 0.00 H new ATOM 351 N VAL A 22 -7.539 1.654 -5.747 1.00 0.00 N ATOM 352 CA VAL A 22 -7.911 1.892 -4.358 1.00 0.00 C ATOM 353 C VAL A 22 -7.821 3.373 -4.026 1.00 0.00 C ATOM 354 O VAL A 22 -6.803 4.010 -4.294 1.00 0.00 O ATOM 355 CB VAL A 22 -7.000 1.105 -3.388 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.480 1.244 -1.949 1.00 0.00 C ATOM 357 CG2 VAL A 22 -6.922 -0.361 -3.787 1.00 0.00 C ATOM 0 H VAL A 22 -6.592 1.949 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.938 1.549 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.999 1.531 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.820 0.680 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.468 2.295 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.495 0.856 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.275 -0.894 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.920 -0.798 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.514 -0.443 -4.795 1.00 0.00 H new ATOM 367 N VAL A 23 -8.885 3.920 -3.453 1.00 0.00 N ATOM 368 CA VAL A 23 -8.891 5.314 -3.035 1.00 0.00 C ATOM 369 C VAL A 23 -8.539 5.410 -1.556 1.00 0.00 C ATOM 370 O VAL A 23 -9.235 4.853 -0.704 1.00 0.00 O ATOM 371 CB VAL A 23 -10.259 5.981 -3.286 1.00 0.00 C ATOM 372 CG1 VAL A 23 -10.217 7.460 -2.939 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.697 5.787 -4.727 1.00 0.00 C ATOM 0 H VAL A 23 -9.754 3.419 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.146 5.842 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.989 5.499 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.194 7.905 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.958 7.580 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.468 7.957 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.664 6.266 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.960 6.234 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.781 4.722 -4.941 1.00 0.00 H new ATOM 383 N VAL A 24 -7.462 6.112 -1.255 1.00 0.00 N ATOM 384 CA VAL A 24 -6.956 6.197 0.110 1.00 0.00 C ATOM 385 C VAL A 24 -6.816 7.643 0.568 1.00 0.00 C ATOM 386 O VAL A 24 -6.632 8.552 -0.246 1.00 0.00 O ATOM 387 CB VAL A 24 -5.594 5.480 0.248 1.00 0.00 C ATOM 388 CG1 VAL A 24 -5.767 3.966 0.151 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.615 5.984 -0.808 1.00 0.00 C ATOM 0 H VAL A 24 -6.916 6.636 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.687 5.699 0.747 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.183 5.709 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.796 3.482 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.427 3.623 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.202 3.711 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.661 5.468 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.019 5.788 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.465 7.056 -0.682 1.00 0.00 H new ATOM 399 N SER A 25 -6.939 7.848 1.870 1.00 0.00 N ATOM 400 CA SER A 25 -6.744 9.151 2.468 1.00 0.00 C ATOM 401 C SER A 25 -5.281 9.332 2.868 1.00 0.00 C ATOM 402 O SER A 25 -4.825 10.445 3.157 1.00 0.00 O ATOM 403 CB SER A 25 -7.647 9.277 3.691 1.00 0.00 C ATOM 404 OG SER A 25 -8.990 8.960 3.362 1.00 0.00 O ATOM 0 H SER A 25 -7.177 7.114 2.538 1.00 0.00 H new ATOM 0 HA SER A 25 -7.000 9.927 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.294 8.611 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.594 10.292 4.084 1.00 0.00 H new ATOM 0 HG SER A 25 -9.256 9.456 2.560 1.00 0.00 H new ATOM 410 N THR A 26 -4.550 8.227 2.873 1.00 0.00 N ATOM 411 CA THR A 26 -3.156 8.231 3.280 1.00 0.00 C ATOM 412 C THR A 26 -2.227 8.206 2.070 1.00 0.00 C ATOM 413 O THR A 26 -2.520 7.561 1.064 1.00 0.00 O ATOM 414 CB THR A 26 -2.851 7.022 4.187 1.00 0.00 C ATOM 415 OG1 THR A 26 -3.402 5.832 3.608 1.00 0.00 O ATOM 416 CG2 THR A 26 -3.426 7.222 5.580 1.00 0.00 C ATOM 0 H THR A 26 -4.904 7.311 2.597 1.00 0.00 H new ATOM 0 HA THR A 26 -2.980 9.152 3.836 1.00 0.00 H new ATOM 0 HB THR A 26 -1.769 6.926 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.205 5.065 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.195 6.354 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.988 8.113 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.507 7.343 5.513 1.00 0.00 H new ATOM 424 N TRP A 27 -1.107 8.910 2.172 1.00 0.00 N ATOM 425 CA TRP A 27 -0.131 8.957 1.094 1.00 0.00 C ATOM 426 C TRP A 27 0.725 7.693 1.075 1.00 0.00 C ATOM 427 O TRP A 27 1.174 7.253 0.018 1.00 0.00 O ATOM 428 CB TRP A 27 0.754 10.193 1.235 1.00 0.00 C ATOM 429 CG TRP A 27 0.009 11.482 1.049 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.508 12.283 2.027 1.00 0.00 C ATOM 431 CD2 TRP A 27 -0.309 12.113 -0.196 1.00 0.00 C ATOM 432 NE1 TRP A 27 -1.119 13.377 1.464 1.00 0.00 N ATOM 433 CE2 TRP A 27 -1.013 13.293 0.102 1.00 0.00 C ATOM 434 CE3 TRP A 27 -0.065 11.797 -1.538 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.477 14.154 -0.887 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.526 12.654 -2.519 1.00 0.00 C ATOM 437 CH2 TRP A 27 -1.223 13.820 -2.189 1.00 0.00 C ATOM 0 H TRP A 27 -0.852 9.458 2.994 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.671 9.015 0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.217 10.189 2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.560 10.139 0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.446 12.085 3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.577 14.130 1.978 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.474 10.899 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.018 15.054 -0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.345 12.419 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.568 14.471 -2.979 1.00 0.00 H new ATOM 448 N LYS A 28 0.957 7.110 2.243 1.00 0.00 N ATOM 449 CA LYS A 28 1.718 5.868 2.320 1.00 0.00 C ATOM 450 C LYS A 28 0.788 4.682 2.482 1.00 0.00 C ATOM 451 O LYS A 28 -0.015 4.631 3.416 1.00 0.00 O ATOM 452 CB LYS A 28 2.724 5.889 3.470 1.00 0.00 C ATOM 453 CG LYS A 28 3.861 6.872 3.278 1.00 0.00 C ATOM 454 CD LYS A 28 5.106 6.406 4.010 1.00 0.00 C ATOM 455 CE LYS A 28 5.639 5.112 3.410 1.00 0.00 C ATOM 456 NZ LYS A 28 6.792 4.577 4.174 1.00 0.00 N ATOM 0 H LYS A 28 0.634 7.471 3.141 1.00 0.00 H new ATOM 0 HA LYS A 28 2.271 5.772 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.199 6.133 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.139 4.889 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.078 6.981 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.564 7.854 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.873 7.178 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.877 6.255 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.843 4.368 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.939 5.288 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.123 3.696 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.563 5.275 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.500 4.384 5.153 1.00 0.00 H new ATOM 470 N VAL A 29 0.908 3.725 1.577 1.00 0.00 N ATOM 471 CA VAL A 29 0.067 2.547 1.590 1.00 0.00 C ATOM 472 C VAL A 29 0.917 1.281 1.646 1.00 0.00 C ATOM 473 O VAL A 29 2.032 1.246 1.120 1.00 0.00 O ATOM 474 CB VAL A 29 -0.847 2.500 0.348 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.905 3.592 0.424 1.00 0.00 C ATOM 476 CG2 VAL A 29 -0.030 2.631 -0.934 1.00 0.00 C ATOM 0 H VAL A 29 1.589 3.745 0.817 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.558 2.600 2.481 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.349 1.533 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.541 3.545 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.513 3.448 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.419 4.567 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.697 2.595 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.505 3.580 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.686 1.811 -0.995 1.00 0.00 H new ATOM 486 N ALA A 30 0.390 0.251 2.292 1.00 0.00 N ATOM 487 CA ALA A 30 1.071 -1.032 2.377 1.00 0.00 C ATOM 488 C ALA A 30 0.342 -2.060 1.529 1.00 0.00 C ATOM 489 O ALA A 30 -0.771 -2.470 1.861 1.00 0.00 O ATOM 490 CB ALA A 30 1.161 -1.497 3.823 1.00 0.00 C ATOM 0 H ALA A 30 -0.512 0.280 2.767 1.00 0.00 H new ATOM 0 HA ALA A 30 2.086 -0.917 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.674 -2.458 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.717 -0.764 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.157 -1.603 4.234 1.00 0.00 H new ATOM 496 N CYS A 31 0.962 -2.456 0.430 1.00 0.00 N ATOM 497 CA CYS A 31 0.360 -3.421 -0.478 1.00 0.00 C ATOM 498 C CYS A 31 0.816 -4.828 -0.110 1.00 0.00 C ATOM 499 O CYS A 31 1.924 -5.013 0.392 1.00 0.00 O ATOM 500 CB CYS A 31 0.732 -3.095 -1.931 1.00 0.00 C ATOM 501 SG CYS A 31 -0.106 -4.106 -3.173 1.00 0.00 S ATOM 0 H CYS A 31 1.883 -2.124 0.144 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.725 -3.367 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.505 -2.046 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.809 -3.215 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 31 0.718 -5.000 -3.633 1.00 0.00 H new ATOM 507 N ASP A 32 -0.034 -5.809 -0.371 1.00 0.00 N ATOM 508 CA ASP A 32 0.234 -7.188 0.012 1.00 0.00 C ATOM 509 C ASP A 32 -0.649 -8.117 -0.806 1.00 0.00 C ATOM 510 O ASP A 32 -1.689 -8.588 -0.340 1.00 0.00 O ATOM 511 CB ASP A 32 -0.015 -7.402 1.512 1.00 0.00 C ATOM 512 CG ASP A 32 0.343 -8.801 1.987 1.00 0.00 C ATOM 513 OD1 ASP A 32 1.530 -9.054 2.271 1.00 0.00 O ATOM 514 OD2 ASP A 32 -0.570 -9.646 2.118 1.00 0.00 O ATOM 0 H ASP A 32 -0.924 -5.674 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 32 1.282 -7.410 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.567 -6.674 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.065 -7.209 1.730 1.00 0.00 H new ATOM 519 N GLY A 33 -0.278 -8.283 -2.064 1.00 0.00 N ATOM 520 CA GLY A 33 -0.979 -9.208 -2.932 1.00 0.00 C ATOM 521 C GLY A 33 -1.909 -8.508 -3.901 1.00 0.00 C ATOM 522 O GLY A 33 -2.706 -7.659 -3.502 1.00 0.00 O ATOM 0 H GLY A 33 0.500 -7.792 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.252 -9.796 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.553 -9.907 -2.324 1.00 0.00 H new ATOM 526 N GLY A 34 -1.795 -8.855 -5.175 1.00 0.00 N ATOM 527 CA GLY A 34 -2.683 -8.318 -6.184 1.00 0.00 C ATOM 528 C GLY A 34 -3.531 -9.407 -6.805 1.00 0.00 C ATOM 529 O GLY A 34 -3.471 -10.558 -6.372 1.00 0.00 O ATOM 0 H GLY A 34 -1.095 -9.506 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.328 -7.561 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.099 -7.822 -6.959 1.00 0.00 H new ATOM 533 N GLU A 35 -4.303 -9.059 -7.824 1.00 0.00 N ATOM 534 CA GLU A 35 -5.201 -10.015 -8.460 1.00 0.00 C ATOM 535 C GLU A 35 -4.449 -10.935 -9.416 1.00 0.00 C ATOM 536 O GLU A 35 -3.250 -10.756 -9.666 1.00 0.00 O ATOM 537 CB GLU A 35 -6.322 -9.288 -9.207 1.00 0.00 C ATOM 538 CG GLU A 35 -7.236 -8.480 -8.299 1.00 0.00 C ATOM 539 CD GLU A 35 -7.821 -9.310 -7.177 1.00 0.00 C ATOM 540 OE1 GLU A 35 -8.559 -10.272 -7.467 1.00 0.00 O ATOM 541 OE2 GLU A 35 -7.548 -9.000 -5.999 1.00 0.00 O ATOM 0 H GLU A 35 -4.327 -8.123 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.639 -10.628 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.881 -8.623 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.919 -10.020 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.677 -7.646 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.046 -8.053 -8.891 1.00 0.00 H new ATOM 548 N GLY A 36 -5.163 -11.919 -9.952 1.00 0.00 N ATOM 549 CA GLY A 36 -4.550 -12.880 -10.843 1.00 0.00 C ATOM 550 C GLY A 36 -3.737 -13.903 -10.081 1.00 0.00 C ATOM 551 O GLY A 36 -4.275 -14.676 -9.291 1.00 0.00 O ATOM 0 H GLY A 36 -6.158 -12.066 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.323 -13.386 -11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.908 -12.360 -11.554 1.00 0.00 H new ATOM 555 N ALA A 37 -2.441 -13.897 -10.317 1.00 0.00 N ATOM 556 CA ALA A 37 -1.526 -14.772 -9.605 1.00 0.00 C ATOM 557 C ALA A 37 -0.398 -13.964 -8.980 1.00 0.00 C ATOM 558 O ALA A 37 0.602 -14.519 -8.523 1.00 0.00 O ATOM 559 CB ALA A 37 -0.967 -15.831 -10.547 1.00 0.00 C ATOM 0 H ALA A 37 -1.992 -13.290 -11.003 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.073 -15.273 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.283 -16.480 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.785 -16.426 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.432 -15.346 -11.364 1.00 0.00 H new ATOM 565 N LEU A 38 -0.576 -12.649 -8.937 1.00 0.00 N ATOM 566 CA LEU A 38 0.471 -11.763 -8.454 1.00 0.00 C ATOM 567 C LEU A 38 0.356 -11.520 -6.953 1.00 0.00 C ATOM 568 O LEU A 38 -0.015 -10.431 -6.513 1.00 0.00 O ATOM 569 CB LEU A 38 0.438 -10.428 -9.203 1.00 0.00 C ATOM 570 CG LEU A 38 0.772 -10.504 -10.695 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.665 -9.129 -11.337 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.164 -11.080 -10.900 1.00 0.00 C ATOM 0 H LEU A 38 -1.431 -12.177 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 38 1.425 -12.256 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.555 -9.993 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.140 -9.745 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 38 0.051 -11.165 -11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.906 -9.203 -12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.351 -8.751 -11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.363 -8.446 -10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.385 -11.127 -11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.898 -10.444 -10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.209 -12.083 -10.476 1.00 0.00 H new ATOM 584 N GLY A 39 0.662 -12.541 -6.173 1.00 0.00 N ATOM 585 CA GLY A 39 0.713 -12.381 -4.738 1.00 0.00 C ATOM 586 C GLY A 39 2.111 -12.043 -4.287 1.00 0.00 C ATOM 587 O GLY A 39 3.081 -12.603 -4.794 1.00 0.00 O ATOM 0 H GLY A 39 0.877 -13.480 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.026 -11.592 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.381 -13.299 -4.253 1.00 0.00 H new ATOM 591 N HIS A 40 2.223 -11.131 -3.345 1.00 0.00 N ATOM 592 CA HIS A 40 3.524 -10.665 -2.896 1.00 0.00 C ATOM 593 C HIS A 40 3.459 -10.220 -1.440 1.00 0.00 C ATOM 594 O HIS A 40 2.383 -9.894 -0.939 1.00 0.00 O ATOM 595 CB HIS A 40 4.023 -9.516 -3.790 1.00 0.00 C ATOM 596 CG HIS A 40 3.232 -8.243 -3.677 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.454 -7.293 -2.707 1.00 0.00 N ATOM 598 CD2 HIS A 40 2.214 -7.765 -4.441 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.601 -6.290 -2.907 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.819 -6.526 -3.945 1.00 0.00 N ATOM 0 H HIS A 40 1.430 -10.695 -2.873 1.00 0.00 H new ATOM 0 HA HIS A 40 4.231 -11.492 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.063 -9.305 -3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.005 -9.848 -4.828 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.151 -7.347 -1.964 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.782 -8.266 -5.295 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.555 -5.399 -2.299 1.00 0.00 H new ATOM 608 N PRO A 41 4.610 -10.212 -0.745 1.00 0.00 N ATOM 609 CA PRO A 41 4.691 -9.775 0.653 1.00 0.00 C ATOM 610 C PRO A 41 4.449 -8.274 0.808 1.00 0.00 C ATOM 611 O PRO A 41 4.438 -7.529 -0.177 1.00 0.00 O ATOM 612 CB PRO A 41 6.127 -10.126 1.069 1.00 0.00 C ATOM 613 CG PRO A 41 6.647 -11.027 0.000 1.00 0.00 C ATOM 614 CD PRO A 41 5.922 -10.636 -1.253 1.00 0.00 C ATOM 0 HA PRO A 41 3.929 -10.256 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.740 -9.229 1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.144 -10.620 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.724 -10.911 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.464 -12.073 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.432 -9.830 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.837 -11.470 -1.949 1.00 0.00 H new ATOM 622 N ARG A 42 4.273 -7.850 2.054 1.00 0.00 N ATOM 623 CA ARG A 42 3.984 -6.458 2.381 1.00 0.00 C ATOM 624 C ARG A 42 5.035 -5.514 1.806 1.00 0.00 C ATOM 625 O ARG A 42 6.223 -5.626 2.109 1.00 0.00 O ATOM 626 CB ARG A 42 3.926 -6.285 3.897 1.00 0.00 C ATOM 627 CG ARG A 42 3.659 -4.855 4.341 1.00 0.00 C ATOM 628 CD ARG A 42 3.919 -4.676 5.827 1.00 0.00 C ATOM 629 NE ARG A 42 3.077 -5.547 6.648 1.00 0.00 N ATOM 630 CZ ARG A 42 3.553 -6.434 7.522 1.00 0.00 C ATOM 631 NH1 ARG A 42 4.865 -6.610 7.645 1.00 0.00 N ATOM 632 NH2 ARG A 42 2.718 -7.142 8.273 1.00 0.00 N ATOM 0 H ARG A 42 4.327 -8.463 2.868 1.00 0.00 H new ATOM 0 HA ARG A 42 3.021 -6.206 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.146 -6.932 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.870 -6.619 4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.293 -4.173 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.626 -4.590 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.968 -4.885 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.740 -3.637 6.102 1.00 0.00 H new ATOM 0 HE ARG A 42 2.065 -5.471 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.509 -6.066 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.228 -7.289 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.711 -7.008 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.083 -7.820 8.941 1.00 0.00 H new ATOM 646 N VAL A 43 4.590 -4.588 0.975 1.00 0.00 N ATOM 647 CA VAL A 43 5.460 -3.548 0.455 1.00 0.00 C ATOM 648 C VAL A 43 4.929 -2.187 0.849 1.00 0.00 C ATOM 649 O VAL A 43 3.730 -2.003 1.065 1.00 0.00 O ATOM 650 CB VAL A 43 5.628 -3.628 -1.076 1.00 0.00 C ATOM 651 CG1 VAL A 43 4.302 -3.450 -1.788 1.00 0.00 C ATOM 652 CG2 VAL A 43 6.653 -2.615 -1.585 1.00 0.00 C ATOM 0 H VAL A 43 3.626 -4.535 0.645 1.00 0.00 H new ATOM 0 HA VAL A 43 6.446 -3.702 0.894 1.00 0.00 H new ATOM 0 HB VAL A 43 6.004 -4.626 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.456 -3.512 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.613 -4.234 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.882 -2.476 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.744 -2.702 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.327 -1.607 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.620 -2.813 -1.123 1.00 0.00 H new ATOM 662 N TRP A 44 5.836 -1.252 0.932 1.00 0.00 N ATOM 663 CA TRP A 44 5.532 0.088 1.381 1.00 0.00 C ATOM 664 C TRP A 44 5.662 1.081 0.233 1.00 0.00 C ATOM 665 O TRP A 44 6.751 1.282 -0.310 1.00 0.00 O ATOM 666 CB TRP A 44 6.475 0.475 2.515 1.00 0.00 C ATOM 667 CG TRP A 44 6.297 -0.350 3.752 1.00 0.00 C ATOM 668 CD1 TRP A 44 7.056 -1.416 4.145 1.00 0.00 C ATOM 669 CD2 TRP A 44 5.289 -0.183 4.755 1.00 0.00 C ATOM 670 NE1 TRP A 44 6.587 -1.916 5.334 1.00 0.00 N ATOM 671 CE2 TRP A 44 5.503 -1.178 5.729 1.00 0.00 C ATOM 672 CE3 TRP A 44 4.230 0.712 4.929 1.00 0.00 C ATOM 673 CZ2 TRP A 44 4.692 -1.305 6.852 1.00 0.00 C ATOM 674 CZ3 TRP A 44 3.428 0.585 6.046 1.00 0.00 C ATOM 675 CH2 TRP A 44 3.664 -0.415 6.996 1.00 0.00 C ATOM 0 H TRP A 44 6.816 -1.396 0.689 1.00 0.00 H new ATOM 0 HA TRP A 44 4.504 0.112 1.742 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.504 0.378 2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.319 1.525 2.763 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.902 -1.808 3.600 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.982 -2.708 5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.042 1.489 4.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.868 -2.079 7.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.605 1.269 6.189 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.021 -0.485 7.861 1.00 0.00 H new ATOM 686 N LEU A 45 4.547 1.687 -0.144 1.00 0.00 N ATOM 687 CA LEU A 45 4.535 2.653 -1.219 1.00 0.00 C ATOM 688 C LEU A 45 4.237 4.044 -0.679 1.00 0.00 C ATOM 689 O LEU A 45 3.680 4.197 0.412 1.00 0.00 O ATOM 690 CB LEU A 45 3.483 2.280 -2.260 1.00 0.00 C ATOM 691 CG LEU A 45 3.614 0.875 -2.852 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.453 0.583 -3.788 1.00 0.00 C ATOM 693 CD2 LEU A 45 4.937 0.719 -3.586 1.00 0.00 C ATOM 0 H LEU A 45 3.636 1.522 0.285 1.00 0.00 H new ATOM 0 HA LEU A 45 5.520 2.651 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.497 2.373 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.529 3.004 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 45 3.591 0.157 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.562 -0.420 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.515 0.649 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.448 1.310 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.008 -0.288 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.992 1.447 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.760 0.885 -2.891 1.00 0.00 H new ATOM 705 N SER A 46 4.608 5.045 -1.453 1.00 0.00 N ATOM 706 CA SER A 46 4.340 6.432 -1.105 1.00 0.00 C ATOM 707 C SER A 46 3.829 7.175 -2.335 1.00 0.00 C ATOM 708 O SER A 46 4.548 7.324 -3.326 1.00 0.00 O ATOM 709 CB SER A 46 5.604 7.108 -0.551 1.00 0.00 C ATOM 710 OG SER A 46 5.331 8.419 -0.074 1.00 0.00 O ATOM 0 H SER A 46 5.102 4.924 -2.337 1.00 0.00 H new ATOM 0 HA SER A 46 3.577 6.462 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.015 6.504 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.364 7.155 -1.331 1.00 0.00 H new ATOM 0 HG SER A 46 6.156 8.819 0.273 1.00 0.00 H new ATOM 716 N ILE A 47 2.583 7.619 -2.269 1.00 0.00 N ATOM 717 CA ILE A 47 1.942 8.300 -3.389 1.00 0.00 C ATOM 718 C ILE A 47 2.617 9.639 -3.679 1.00 0.00 C ATOM 719 O ILE A 47 2.747 10.485 -2.788 1.00 0.00 O ATOM 720 CB ILE A 47 0.438 8.540 -3.113 1.00 0.00 C ATOM 721 CG1 ILE A 47 -0.283 7.209 -2.859 1.00 0.00 C ATOM 722 CG2 ILE A 47 -0.212 9.286 -4.273 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.755 7.364 -2.541 1.00 0.00 C ATOM 0 H ILE A 47 1.990 7.520 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 47 2.046 7.650 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 47 0.351 9.156 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.175 6.574 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.206 6.693 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.269 9.444 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.279 10.250 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.112 8.698 -5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.197 6.382 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.871 7.972 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.258 7.851 -3.376 1.00 0.00 H new ATOM 735 N PRO A 48 3.077 9.831 -4.923 1.00 0.00 N ATOM 736 CA PRO A 48 3.670 11.092 -5.362 1.00 0.00 C ATOM 737 C PRO A 48 2.666 12.236 -5.290 1.00 0.00 C ATOM 738 O PRO A 48 1.560 12.146 -5.826 1.00 0.00 O ATOM 739 CB PRO A 48 4.088 10.820 -6.814 1.00 0.00 C ATOM 740 CG PRO A 48 4.128 9.336 -6.935 1.00 0.00 C ATOM 741 CD PRO A 48 3.076 8.825 -5.996 1.00 0.00 C ATOM 0 HA PRO A 48 4.505 11.397 -4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.377 11.254 -7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.061 11.260 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.926 9.021 -7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.111 8.948 -6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.102 8.752 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.319 7.832 -5.619 1.00 0.00 H new ATOM 749 N HIS A 49 3.060 13.313 -4.625 1.00 0.00 N ATOM 750 CA HIS A 49 2.170 14.440 -4.387 1.00 0.00 C ATOM 751 C HIS A 49 1.892 15.210 -5.674 1.00 0.00 C ATOM 752 O HIS A 49 0.865 15.875 -5.796 1.00 0.00 O ATOM 753 CB HIS A 49 2.762 15.389 -3.339 1.00 0.00 C ATOM 754 CG HIS A 49 2.902 14.786 -1.975 1.00 0.00 C ATOM 755 ND1 HIS A 49 2.164 15.208 -0.892 1.00 0.00 N ATOM 756 CD2 HIS A 49 3.717 13.809 -1.512 1.00 0.00 C ATOM 757 CE1 HIS A 49 2.518 14.521 0.175 1.00 0.00 C ATOM 758 NE2 HIS A 49 3.459 13.664 -0.173 1.00 0.00 N ATOM 0 H HIS A 49 3.997 13.430 -4.239 1.00 0.00 H new ATOM 0 HA HIS A 49 1.229 14.036 -4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.743 15.722 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.131 16.275 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.437 13.248 -2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.107 14.639 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.919 13.002 0.452 1.00 0.00 H new ATOM 767 N GLU A 50 2.807 15.115 -6.633 1.00 0.00 N ATOM 768 CA GLU A 50 2.671 15.835 -7.894 1.00 0.00 C ATOM 769 C GLU A 50 1.688 15.136 -8.831 1.00 0.00 C ATOM 770 O GLU A 50 1.165 15.750 -9.760 1.00 0.00 O ATOM 771 CB GLU A 50 4.033 16.012 -8.591 1.00 0.00 C ATOM 772 CG GLU A 50 4.800 14.716 -8.822 1.00 0.00 C ATOM 773 CD GLU A 50 5.668 14.331 -7.643 1.00 0.00 C ATOM 774 OE1 GLU A 50 5.128 13.837 -6.638 1.00 0.00 O ATOM 775 OE2 GLU A 50 6.900 14.523 -7.720 1.00 0.00 O ATOM 0 H GLU A 50 3.651 14.546 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 50 2.277 16.823 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.874 16.501 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.649 16.682 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.093 13.912 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.425 14.822 -9.709 1.00 0.00 H new ATOM 782 N THR A 51 1.436 13.856 -8.591 1.00 0.00 N ATOM 783 CA THR A 51 0.505 13.109 -9.420 1.00 0.00 C ATOM 784 C THR A 51 -0.840 12.945 -8.717 1.00 0.00 C ATOM 785 O THR A 51 -1.890 13.218 -9.299 1.00 0.00 O ATOM 786 CB THR A 51 1.064 11.721 -9.795 1.00 0.00 C ATOM 787 OG1 THR A 51 1.462 11.016 -8.612 1.00 0.00 O ATOM 788 CG2 THR A 51 2.253 11.849 -10.736 1.00 0.00 C ATOM 0 H THR A 51 1.860 13.319 -7.835 1.00 0.00 H new ATOM 0 HA THR A 51 0.363 13.682 -10.336 1.00 0.00 H new ATOM 0 HB THR A 51 0.277 11.165 -10.304 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.103 10.105 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.628 10.856 -10.985 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.942 12.359 -11.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.041 12.424 -10.250 1.00 0.00 H new ATOM 796 N GLY A 52 -0.795 12.523 -7.460 1.00 0.00 N ATOM 797 CA GLY A 52 -2.011 12.268 -6.715 1.00 0.00 C ATOM 798 C GLY A 52 -2.386 10.802 -6.749 1.00 0.00 C ATOM 799 O GLY A 52 -3.410 10.395 -6.198 1.00 0.00 O ATOM 0 H GLY A 52 0.067 12.352 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.879 12.587 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.825 12.862 -7.130 1.00 0.00 H new ATOM 803 N PHE A 53 -1.539 10.007 -7.393 1.00 0.00 N ATOM 804 CA PHE A 53 -1.770 8.578 -7.523 1.00 0.00 C ATOM 805 C PHE A 53 -0.449 7.851 -7.732 1.00 0.00 C ATOM 806 O PHE A 53 0.526 8.448 -8.197 1.00 0.00 O ATOM 807 CB PHE A 53 -2.724 8.286 -8.688 1.00 0.00 C ATOM 808 CG PHE A 53 -2.205 8.696 -10.043 1.00 0.00 C ATOM 809 CD1 PHE A 53 -2.365 9.995 -10.498 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.565 7.778 -10.860 1.00 0.00 C ATOM 811 CE1 PHE A 53 -1.894 10.372 -11.739 1.00 0.00 C ATOM 812 CE2 PHE A 53 -1.093 8.148 -12.104 1.00 0.00 C ATOM 813 CZ PHE A 53 -1.258 9.447 -12.544 1.00 0.00 C ATOM 0 H PHE A 53 -0.680 10.334 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.231 8.219 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.940 7.218 -8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.668 8.799 -8.505 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.864 10.721 -9.874 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.434 6.761 -10.520 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.022 11.389 -12.080 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.596 7.423 -12.732 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.890 9.739 -13.516 1.00 0.00 H new ATOM 823 N VAL A 54 -0.417 6.574 -7.387 1.00 0.00 N ATOM 824 CA VAL A 54 0.776 5.766 -7.575 1.00 0.00 C ATOM 825 C VAL A 54 0.406 4.389 -8.119 1.00 0.00 C ATOM 826 O VAL A 54 -0.607 3.802 -7.728 1.00 0.00 O ATOM 827 CB VAL A 54 1.585 5.614 -6.260 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.811 4.824 -5.216 1.00 0.00 C ATOM 829 CG2 VAL A 54 2.935 4.965 -6.523 1.00 0.00 C ATOM 0 H VAL A 54 -1.205 6.074 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 54 1.407 6.283 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 54 1.754 6.616 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.408 4.738 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.122 5.339 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.591 3.829 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.482 4.870 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.785 3.977 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.507 5.583 -7.216 1.00 0.00 H new ATOM 839 N GLU A 55 1.215 3.893 -9.042 1.00 0.00 N ATOM 840 CA GLU A 55 1.019 2.566 -9.601 1.00 0.00 C ATOM 841 C GLU A 55 2.090 1.623 -9.067 1.00 0.00 C ATOM 842 O GLU A 55 3.279 1.946 -9.093 1.00 0.00 O ATOM 843 CB GLU A 55 1.060 2.625 -11.130 1.00 0.00 C ATOM 844 CG GLU A 55 -0.071 3.451 -11.728 1.00 0.00 C ATOM 845 CD GLU A 55 -0.034 3.494 -13.241 1.00 0.00 C ATOM 846 OE1 GLU A 55 -0.122 2.420 -13.874 1.00 0.00 O ATOM 847 OE2 GLU A 55 0.077 4.600 -13.806 1.00 0.00 O ATOM 0 H GLU A 55 2.018 4.394 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 55 0.041 2.189 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.015 3.046 -11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.011 1.611 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.026 3.037 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.016 4.468 -11.339 1.00 0.00 H new ATOM 854 N CYS A 56 1.660 0.474 -8.564 1.00 0.00 N ATOM 855 CA CYS A 56 2.568 -0.483 -7.948 1.00 0.00 C ATOM 856 C CYS A 56 3.446 -1.155 -9.001 1.00 0.00 C ATOM 857 O CYS A 56 3.055 -1.292 -10.160 1.00 0.00 O ATOM 858 CB CYS A 56 1.768 -1.539 -7.175 1.00 0.00 C ATOM 859 SG CYS A 56 2.773 -2.665 -6.175 1.00 0.00 S ATOM 0 H CYS A 56 0.683 0.181 -8.571 1.00 0.00 H new ATOM 0 HA CYS A 56 3.217 0.053 -7.255 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.057 -1.032 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.186 -2.126 -7.885 1.00 0.00 H new ATOM 0 HG CYS A 56 1.998 -3.512 -5.565 1.00 0.00 H new ATOM 865 N GLY A 57 4.643 -1.558 -8.592 1.00 0.00 N ATOM 866 CA GLY A 57 5.525 -2.281 -9.485 1.00 0.00 C ATOM 867 C GLY A 57 5.389 -3.782 -9.321 1.00 0.00 C ATOM 868 O GLY A 57 5.758 -4.551 -10.208 1.00 0.00 O ATOM 0 H GLY A 57 5.018 -1.396 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.302 -2.007 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.557 -1.987 -9.293 1.00 0.00 H new ATOM 872 N TYR A 58 4.849 -4.199 -8.182 1.00 0.00 N ATOM 873 CA TYR A 58 4.657 -5.610 -7.896 1.00 0.00 C ATOM 874 C TYR A 58 3.411 -6.140 -8.590 1.00 0.00 C ATOM 875 O TYR A 58 3.340 -7.312 -8.952 1.00 0.00 O ATOM 876 CB TYR A 58 4.544 -5.828 -6.388 1.00 0.00 C ATOM 877 CG TYR A 58 5.872 -5.880 -5.669 1.00 0.00 C ATOM 878 CD1 TYR A 58 6.549 -4.717 -5.318 1.00 0.00 C ATOM 879 CD2 TYR A 58 6.444 -7.101 -5.334 1.00 0.00 C ATOM 880 CE1 TYR A 58 7.762 -4.772 -4.655 1.00 0.00 C ATOM 881 CE2 TYR A 58 7.654 -7.164 -4.673 1.00 0.00 C ATOM 882 CZ TYR A 58 8.310 -5.999 -4.337 1.00 0.00 C ATOM 883 OH TYR A 58 9.518 -6.063 -3.678 1.00 0.00 O ATOM 0 H TYR A 58 4.536 -3.574 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 58 5.521 -6.156 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.943 -5.026 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.008 -6.760 -6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.122 -3.757 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.933 -8.016 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.277 -3.861 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.085 -8.122 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 58 9.760 -7.001 -3.530 1.00 0.00 H new ATOM 893 N CYS A 59 2.429 -5.266 -8.767 1.00 0.00 N ATOM 894 CA CYS A 59 1.172 -5.641 -9.394 1.00 0.00 C ATOM 895 C CYS A 59 0.500 -4.398 -9.965 1.00 0.00 C ATOM 896 O CYS A 59 0.922 -3.280 -9.677 1.00 0.00 O ATOM 897 CB CYS A 59 0.265 -6.334 -8.368 1.00 0.00 C ATOM 898 SG CYS A 59 -1.280 -6.996 -9.040 1.00 0.00 S ATOM 0 H CYS A 59 2.481 -4.288 -8.483 1.00 0.00 H new ATOM 0 HA CYS A 59 1.360 -6.340 -10.209 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.821 -7.149 -7.905 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.025 -5.623 -7.578 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.289 -6.448 -8.429 1.00 0.00 H new ATOM 904 N ASP A 60 -0.549 -4.592 -10.754 1.00 0.00 N ATOM 905 CA ASP A 60 -1.263 -3.490 -11.390 1.00 0.00 C ATOM 906 C ASP A 60 -2.173 -2.761 -10.400 1.00 0.00 C ATOM 907 O ASP A 60 -3.235 -2.256 -10.764 1.00 0.00 O ATOM 908 CB ASP A 60 -2.078 -3.995 -12.585 1.00 0.00 C ATOM 909 CG ASP A 60 -1.227 -4.213 -13.827 1.00 0.00 C ATOM 910 OD1 ASP A 60 -0.567 -5.269 -13.933 1.00 0.00 O ATOM 911 OD2 ASP A 60 -1.209 -3.318 -14.703 1.00 0.00 O ATOM 0 H ASP A 60 -0.928 -5.514 -10.971 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.517 -2.778 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.567 -4.931 -12.316 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.866 -3.277 -12.811 1.00 0.00 H new ATOM 916 N ARG A 61 -1.738 -2.700 -9.150 1.00 0.00 N ATOM 917 CA ARG A 61 -2.441 -1.954 -8.120 1.00 0.00 C ATOM 918 C ARG A 61 -2.259 -0.460 -8.328 1.00 0.00 C ATOM 919 O ARG A 61 -1.134 0.039 -8.378 1.00 0.00 O ATOM 920 CB ARG A 61 -1.933 -2.348 -6.733 1.00 0.00 C ATOM 921 CG ARG A 61 -2.710 -3.479 -6.087 1.00 0.00 C ATOM 922 CD ARG A 61 -3.955 -2.962 -5.380 1.00 0.00 C ATOM 923 NE ARG A 61 -4.755 -4.045 -4.814 1.00 0.00 N ATOM 924 CZ ARG A 61 -4.395 -4.776 -3.758 1.00 0.00 C ATOM 925 NH1 ARG A 61 -3.278 -4.499 -3.096 1.00 0.00 N ATOM 926 NH2 ARG A 61 -5.173 -5.767 -3.345 1.00 0.00 N ATOM 0 H ARG A 61 -0.891 -3.165 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.502 -2.195 -8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.886 -2.639 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.974 -1.475 -6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.996 -4.207 -6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.073 -3.999 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.662 -2.275 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.562 -2.394 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.649 -4.257 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.688 -3.722 -3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.010 -5.063 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.045 -5.969 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.900 -6.327 -2.538 1.00 0.00 H new ATOM 940 N ARG A 62 -3.368 0.244 -8.446 1.00 0.00 N ATOM 941 CA ARG A 62 -3.344 1.680 -8.642 1.00 0.00 C ATOM 942 C ARG A 62 -3.968 2.373 -7.442 1.00 0.00 C ATOM 943 O ARG A 62 -5.164 2.233 -7.186 1.00 0.00 O ATOM 944 CB ARG A 62 -4.087 2.055 -9.926 1.00 0.00 C ATOM 945 CG ARG A 62 -4.049 3.542 -10.245 1.00 0.00 C ATOM 946 CD ARG A 62 -4.686 3.835 -11.594 1.00 0.00 C ATOM 947 NE ARG A 62 -4.029 3.102 -12.674 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.627 3.655 -13.818 1.00 0.00 C ATOM 949 NH1 ARG A 62 -3.804 4.955 -14.037 1.00 0.00 N ATOM 950 NH2 ARG A 62 -3.038 2.907 -14.742 1.00 0.00 N ATOM 0 H ARG A 62 -4.304 -0.160 -8.409 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.309 2.008 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.654 1.503 -10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.126 1.738 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.572 4.097 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.016 3.890 -10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.742 3.568 -11.563 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.634 4.905 -11.796 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.868 2.103 -12.544 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.250 5.536 -13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.494 5.371 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.894 1.911 -14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.729 3.328 -15.618 1.00 0.00 H new ATOM 964 N TYR A 63 -3.159 3.102 -6.695 1.00 0.00 N ATOM 965 CA TYR A 63 -3.635 3.786 -5.504 1.00 0.00 C ATOM 966 C TYR A 63 -3.875 5.259 -5.793 1.00 0.00 C ATOM 967 O TYR A 63 -2.968 5.980 -6.206 1.00 0.00 O ATOM 968 CB TYR A 63 -2.644 3.618 -4.352 1.00 0.00 C ATOM 969 CG TYR A 63 -2.595 2.204 -3.810 1.00 0.00 C ATOM 970 CD1 TYR A 63 -1.778 1.238 -4.385 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.379 1.835 -2.725 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.748 -0.055 -3.893 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.355 0.545 -2.230 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.535 -0.396 -2.814 1.00 0.00 C ATOM 975 OH TYR A 63 -2.510 -1.686 -2.330 1.00 0.00 O ATOM 0 H TYR A 63 -2.167 3.236 -6.892 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.582 3.336 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.649 3.905 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.914 4.300 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.157 1.500 -5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.019 2.570 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.110 -0.795 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.976 0.275 -1.389 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.714 -2.147 -2.667 1.00 0.00 H new ATOM 985 N ILE A 64 -5.109 5.685 -5.588 1.00 0.00 N ATOM 986 CA ILE A 64 -5.503 7.057 -5.834 1.00 0.00 C ATOM 987 C ILE A 64 -5.758 7.755 -4.510 1.00 0.00 C ATOM 988 O ILE A 64 -6.540 7.271 -3.691 1.00 0.00 O ATOM 989 CB ILE A 64 -6.798 7.131 -6.682 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.696 6.250 -7.934 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.099 8.572 -7.068 1.00 0.00 C ATOM 992 CD1 ILE A 64 -5.649 6.700 -8.930 1.00 0.00 C ATOM 0 H ILE A 64 -5.863 5.089 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.695 7.543 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.619 6.752 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.473 5.228 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.667 6.230 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.012 8.606 -7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.231 9.170 -6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.270 8.973 -7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.644 6.022 -9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.880 7.710 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.668 6.692 -8.455 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.100 8.878 -4.284 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.370 9.658 -3.095 1.00 0.00 C ATOM 1006 C HIS A 65 -6.681 10.412 -3.292 1.00 0.00 C ATOM 1007 O HIS A 65 -6.923 10.971 -4.365 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.222 10.627 -2.801 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.350 11.317 -1.477 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.009 12.511 -1.359 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -3.890 10.945 -0.260 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -4.938 12.846 -0.085 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.270 11.926 0.623 1.00 0.00 N ATOM 0 H HIS A 65 -4.385 9.264 -4.900 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.457 8.992 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.279 10.081 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.178 11.377 -3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.332 10.050 -0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.364 13.746 0.333 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.080 11.949 1.625 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.521 10.423 -2.264 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.863 10.976 -2.370 1.00 0.00 C ATOM 1023 C GLU A 66 -8.865 12.455 -2.754 1.00 0.00 C ATOM 1024 O GLU A 66 -9.887 12.979 -3.190 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.614 10.788 -1.055 1.00 0.00 C ATOM 1026 CG GLU A 66 -8.960 11.472 0.132 1.00 0.00 C ATOM 1027 CD GLU A 66 -9.935 11.709 1.265 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -10.307 10.736 1.949 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -10.342 12.872 1.471 1.00 0.00 O ATOM 0 H GLU A 66 -7.293 10.052 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.365 10.432 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.628 11.172 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.698 9.722 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.132 10.861 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.538 12.425 -0.187 1.00 0.00 H new ATOM 1036 N SER A 67 -7.734 13.132 -2.599 1.00 0.00 N ATOM 1037 CA SER A 67 -7.659 14.543 -2.945 1.00 0.00 C ATOM 1038 C SER A 67 -7.731 14.716 -4.462 1.00 0.00 C ATOM 1039 O SER A 67 -8.391 15.622 -4.971 1.00 0.00 O ATOM 1040 CB SER A 67 -6.376 15.168 -2.374 1.00 0.00 C ATOM 1041 OG SER A 67 -5.215 14.630 -2.989 1.00 0.00 O ATOM 0 H SER A 67 -6.867 12.732 -2.240 1.00 0.00 H new ATOM 0 HA SER A 67 -8.509 15.063 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.400 16.248 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.333 14.994 -1.299 1.00 0.00 H new ATOM 0 HG SER A 67 -4.813 13.959 -2.398 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.087 13.802 -5.175 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.081 13.820 -6.628 1.00 0.00 C ATOM 1049 C PHE A 68 -8.385 13.229 -7.157 1.00 0.00 C ATOM 1050 O PHE A 68 -8.803 13.503 -8.281 1.00 0.00 O ATOM 1051 CB PHE A 68 -5.874 13.030 -7.147 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.706 13.071 -8.640 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -5.254 14.221 -9.267 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -5.989 11.956 -9.415 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -5.093 14.259 -10.638 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -5.831 11.989 -10.787 1.00 0.00 C ATOM 1057 CZ PHE A 68 -5.380 13.142 -11.400 1.00 0.00 C ATOM 0 H PHE A 68 -6.558 13.033 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.001 14.848 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.970 13.421 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.971 11.991 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.025 15.097 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.337 11.051 -8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.743 15.162 -11.115 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.060 11.115 -11.379 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.252 13.171 -12.472 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.043 12.449 -6.311 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.269 11.762 -6.694 1.00 0.00 C ATOM 1069 C ALA A 69 -11.499 12.590 -6.334 1.00 0.00 C ATOM 1070 O ALA A 69 -12.633 12.170 -6.556 1.00 0.00 O ATOM 1071 CB ALA A 69 -10.336 10.393 -6.030 1.00 0.00 C ATOM 0 H ALA A 69 -8.747 12.275 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.259 11.628 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.257 9.890 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.480 9.795 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.319 10.513 -4.947 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.267 13.768 -5.778 1.00 0.00 N ATOM 1078 CA ALA A 70 -12.355 14.645 -5.375 1.00 0.00 C ATOM 1079 C ALA A 70 -12.068 16.081 -5.786 1.00 0.00 C ATOM 1080 O ALA A 70 -12.564 17.029 -5.169 1.00 0.00 O ATOM 1081 CB ALA A 70 -12.569 14.552 -3.876 1.00 0.00 C ATOM 0 H ALA A 70 -10.335 14.139 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.266 14.325 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.386 15.212 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.818 13.525 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.657 14.852 -3.359 1.00 0.00 H new ATOM 1087 N ALA A 71 -11.273 16.232 -6.839 1.00 0.00 N ATOM 1088 CA ALA A 71 -10.932 17.550 -7.363 1.00 0.00 C ATOM 1089 C ALA A 71 -12.169 18.223 -7.948 1.00 0.00 C ATOM 1090 O ALA A 71 -12.644 17.847 -9.018 1.00 0.00 O ATOM 1091 CB ALA A 71 -9.839 17.441 -8.418 1.00 0.00 C ATOM 0 H ALA A 71 -10.851 15.455 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.557 18.161 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.599 18.434 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.948 16.996 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.187 16.814 -9.239 1.00 0.00 H new ATOM 1097 N LYS A 72 -12.693 19.205 -7.227 1.00 0.00 N ATOM 1098 CA LYS A 72 -13.918 19.890 -7.626 1.00 0.00 C ATOM 1099 C LYS A 72 -13.629 20.982 -8.651 1.00 0.00 C ATOM 1100 O LYS A 72 -14.428 21.225 -9.556 1.00 0.00 O ATOM 1101 CB LYS A 72 -14.594 20.489 -6.388 1.00 0.00 C ATOM 1102 CG LYS A 72 -15.904 21.211 -6.672 1.00 0.00 C ATOM 1103 CD LYS A 72 -16.526 21.744 -5.393 1.00 0.00 C ATOM 1104 CE LYS A 72 -17.809 22.511 -5.664 1.00 0.00 C ATOM 1105 NZ LYS A 72 -18.440 22.978 -4.403 1.00 0.00 N ATOM 0 H LYS A 72 -12.286 19.548 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.586 19.165 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.782 19.691 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.904 21.187 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.726 22.035 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.600 20.529 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.735 20.914 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.814 22.395 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.594 23.367 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.507 21.874 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.313 23.498 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.667 22.159 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.782 23.605 -3.897 1.00 0.00 H new ATOM 1119 N LEU A 73 -12.479 21.631 -8.501 1.00 0.00 N ATOM 1120 CA LEU A 73 -12.088 22.720 -9.388 1.00 0.00 C ATOM 1121 C LEU A 73 -11.783 22.192 -10.785 1.00 0.00 C ATOM 1122 O LEU A 73 -11.179 21.129 -10.940 1.00 0.00 O ATOM 1123 CB LEU A 73 -10.866 23.452 -8.824 1.00 0.00 C ATOM 1124 CG LEU A 73 -11.044 24.042 -7.423 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -9.749 24.683 -6.951 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -12.177 25.056 -7.413 1.00 0.00 C ATOM 0 H LEU A 73 -11.799 21.420 -7.770 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.919 23.422 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.025 22.758 -8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.598 24.257 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.300 23.235 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.891 25.098 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.960 23.931 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.466 25.480 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.290 25.466 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.950 25.862 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.105 24.568 -7.712 1.00 0.00 H new ATOM 1138 N GLU A 74 -12.208 22.938 -11.795 1.00 0.00 N ATOM 1139 CA GLU A 74 -12.011 22.546 -13.183 1.00 0.00 C ATOM 1140 C GLU A 74 -12.036 23.773 -14.091 1.00 0.00 C ATOM 1141 O GLU A 74 -12.418 24.862 -13.658 1.00 0.00 O ATOM 1142 CB GLU A 74 -13.096 21.559 -13.622 1.00 0.00 C ATOM 1143 CG GLU A 74 -14.503 22.097 -13.439 1.00 0.00 C ATOM 1144 CD GLU A 74 -15.544 21.235 -14.117 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -15.901 20.179 -13.567 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -16.010 21.613 -15.212 1.00 0.00 O ATOM 0 H GLU A 74 -12.696 23.826 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.038 22.062 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.944 21.306 -14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.990 20.636 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.728 22.163 -12.374 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.557 23.109 -13.840 1.00 0.00 H new ATOM 1153 N HIS A 75 -11.613 23.578 -15.345 1.00 0.00 N ATOM 1154 CA HIS A 75 -11.651 24.622 -16.381 1.00 0.00 C ATOM 1155 C HIS A 75 -10.637 25.725 -16.114 1.00 0.00 C ATOM 1156 O HIS A 75 -10.586 26.719 -16.838 1.00 0.00 O ATOM 1157 CB HIS A 75 -13.054 25.229 -16.516 1.00 0.00 C ATOM 1158 CG HIS A 75 -14.026 24.360 -17.251 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -15.372 24.324 -16.962 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -13.846 23.514 -18.292 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -15.973 23.489 -17.786 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -15.070 22.986 -18.606 1.00 0.00 N ATOM 0 H HIS A 75 -11.233 22.690 -15.673 1.00 0.00 H new ATOM 0 HA HIS A 75 -11.388 24.135 -17.320 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -13.447 25.434 -15.520 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -12.976 26.186 -17.032 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -12.910 23.296 -18.784 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.028 23.256 -17.789 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -15.253 22.314 -19.351 1.00 0.00 H new ATOM 1171 N HIS A 76 -9.813 25.543 -15.092 1.00 0.00 N ATOM 1172 CA HIS A 76 -8.843 26.562 -14.723 1.00 0.00 C ATOM 1173 C HIS A 76 -7.668 26.560 -15.697 1.00 0.00 C ATOM 1174 O HIS A 76 -6.635 25.938 -15.446 1.00 0.00 O ATOM 1175 CB HIS A 76 -8.360 26.358 -13.280 1.00 0.00 C ATOM 1176 CG HIS A 76 -7.484 27.468 -12.770 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -7.957 28.519 -12.014 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -6.154 27.680 -12.912 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -6.956 29.327 -11.713 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -5.852 28.840 -12.247 1.00 0.00 N ATOM 0 H HIS A 76 -9.797 24.707 -14.508 1.00 0.00 H new ATOM 0 HA HIS A 76 -9.330 27.536 -14.779 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.227 26.263 -12.627 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.811 25.418 -13.220 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.460 27.051 -13.450 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.029 30.233 -11.129 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.925 29.259 -12.176 1.00 0.00 H new ATOM 1189 N HIS A 77 -7.857 27.228 -16.822 1.00 0.00 N ATOM 1190 CA HIS A 77 -6.805 27.393 -17.813 1.00 0.00 C ATOM 1191 C HIS A 77 -7.050 28.663 -18.615 1.00 0.00 C ATOM 1192 O HIS A 77 -6.118 29.288 -19.117 1.00 0.00 O ATOM 1193 CB HIS A 77 -6.726 26.179 -18.745 1.00 0.00 C ATOM 1194 CG HIS A 77 -5.523 26.206 -19.637 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -5.598 26.160 -21.009 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -4.202 26.282 -19.337 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -4.379 26.206 -21.517 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -3.514 26.282 -20.523 1.00 0.00 N ATOM 0 H HIS A 77 -8.741 27.670 -17.075 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.851 27.474 -17.293 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.708 25.268 -18.146 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.626 26.139 -19.358 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.772 26.333 -18.348 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.132 26.185 -22.568 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.500 26.332 -20.621 1.00 0.00 H new ATOM 1207 N HIS A 78 -8.316 29.038 -18.734 1.00 0.00 N ATOM 1208 CA HIS A 78 -8.680 30.312 -19.341 1.00 0.00 C ATOM 1209 C HIS A 78 -8.684 31.365 -18.242 1.00 0.00 C ATOM 1210 O HIS A 78 -8.032 31.189 -17.212 1.00 0.00 O ATOM 1211 CB HIS A 78 -10.079 30.247 -19.968 1.00 0.00 C ATOM 1212 CG HIS A 78 -10.453 28.914 -20.542 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -11.265 28.021 -19.876 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -10.135 28.325 -21.719 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -11.428 26.941 -20.613 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -10.755 27.099 -21.738 1.00 0.00 N ATOM 0 H HIS A 78 -9.109 28.479 -18.419 1.00 0.00 H new ATOM 0 HA HIS A 78 -7.964 30.554 -20.127 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.814 30.519 -19.210 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.143 30.997 -20.757 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -11.676 28.173 -18.955 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.511 28.741 -22.497 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -12.013 26.074 -20.343 1.00 0.00 H new ATOM 1225 N HIS A 79 -9.419 32.450 -18.443 1.00 0.00 N ATOM 1226 CA HIS A 79 -9.699 33.352 -17.337 1.00 0.00 C ATOM 1227 C HIS A 79 -10.586 32.605 -16.350 1.00 0.00 C ATOM 1228 O HIS A 79 -10.460 32.747 -15.133 1.00 0.00 O ATOM 1229 CB HIS A 79 -10.385 34.631 -17.823 1.00 0.00 C ATOM 1230 CG HIS A 79 -10.357 35.737 -16.811 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -9.231 36.486 -16.559 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -11.317 36.217 -15.986 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -9.493 37.374 -15.622 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -10.752 37.235 -15.256 1.00 0.00 N ATOM 0 H HIS A 79 -9.823 32.722 -19.339 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.768 33.658 -16.860 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.899 34.971 -18.737 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.421 34.406 -18.077 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -12.336 35.866 -15.915 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.795 38.094 -15.221 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.229 37.792 -14.547 1.00 0.00 H new ATOM 1243 N HIS A 80 -11.472 31.792 -16.912 1.00 0.00 N ATOM 1244 CA HIS A 80 -12.267 30.844 -16.154 1.00 0.00 C ATOM 1245 C HIS A 80 -12.959 29.889 -17.124 1.00 0.00 C ATOM 1246 O HIS A 80 -12.298 28.946 -17.598 1.00 0.00 O ATOM 1247 CB HIS A 80 -13.301 31.553 -15.273 1.00 0.00 C ATOM 1248 CG HIS A 80 -13.979 30.633 -14.304 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -15.292 30.240 -14.427 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -13.513 30.032 -13.186 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -15.605 29.438 -13.426 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -14.542 29.295 -12.658 1.00 0.00 N ATOM 1253 OXT HIS A 80 -14.146 30.102 -17.431 1.00 0.00 O ATOM 0 H HIS A 80 -11.658 31.775 -17.915 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.607 30.285 -15.491 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.810 32.355 -14.721 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.053 32.019 -15.910 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.515 30.117 -12.783 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.568 28.977 -13.263 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -14.493 28.729 -11.811 1.00 0.00 H new TER 1262 HIS A 80