USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 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 68 LYS NZ :NH3+ -173:sc= 0.0434 (180deg=-0.0424) USER MOD Set 1.2: A 71 SER OG : rot 54:sc= 0.133 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.0473 (180deg=-0.458) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.000464 X(o=-0.00046,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 35 TYR OH : rot 150:sc= -1.85! USER MOD Single : A 36 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.97) USER MOD Single : A 43 HIS : no HD1:sc= -0.826 K(o=-0.83,f=0.033) USER MOD Single : A 47 THR OG1 : rot -160:sc= 0.1 USER MOD Single : A 50 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.25) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 59:sc= -4.41! USER MOD Single : A 67 TYR OH : rot 85:sc= 0.288 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 76 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -40.761 -6.694 -4.645 1.00 0.00 N ATOM 2 CA MET A 1 -39.964 -7.461 -3.646 1.00 0.00 C ATOM 3 C MET A 1 -38.494 -7.045 -3.739 1.00 0.00 C ATOM 4 O MET A 1 -37.928 -6.517 -2.803 1.00 0.00 O ATOM 5 CB MET A 1 -40.090 -8.958 -3.936 1.00 0.00 C ATOM 6 CG MET A 1 -40.977 -9.610 -2.873 1.00 0.00 C ATOM 7 SD MET A 1 -41.432 -11.280 -3.404 1.00 0.00 S ATOM 8 CE MET A 1 -40.084 -12.155 -2.574 1.00 0.00 C ATOM 0 H1 MET A 1 -41.760 -6.976 -4.582 1.00 0.00 H new ATOM 0 H2 MET A 1 -40.676 -5.676 -4.449 1.00 0.00 H new ATOM 0 H3 MET A 1 -40.404 -6.894 -5.601 1.00 0.00 H new ATOM 0 HA MET A 1 -40.338 -7.252 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 -40.517 -9.113 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 1 -39.104 -9.423 -3.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 -40.449 -9.651 -1.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 -41.874 -9.011 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -40.169 -13.224 -2.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 -39.128 -11.792 -2.951 1.00 0.00 H new ATOM 0 HE3 MET A 1 -40.142 -11.977 -1.500 1.00 0.00 H new ATOM 20 N SER A 2 -37.873 -7.275 -4.863 1.00 0.00 N ATOM 21 CA SER A 2 -36.443 -6.890 -5.018 1.00 0.00 C ATOM 22 C SER A 2 -36.077 -6.875 -6.502 1.00 0.00 C ATOM 23 O SER A 2 -36.042 -5.838 -7.132 1.00 0.00 O ATOM 24 CB SER A 2 -35.560 -7.899 -4.284 1.00 0.00 C ATOM 25 OG SER A 2 -34.871 -7.241 -3.229 1.00 0.00 O ATOM 0 H SER A 2 -38.295 -7.714 -5.681 1.00 0.00 H new ATOM 0 HA SER A 2 -36.287 -5.897 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.169 -8.710 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.847 -8.346 -4.976 1.00 0.00 H new ATOM 0 HG SER A 2 -34.305 -7.886 -2.755 1.00 0.00 H new ATOM 31 N ARG A 3 -35.806 -8.020 -7.066 1.00 0.00 N ATOM 32 CA ARG A 3 -35.442 -8.073 -8.510 1.00 0.00 C ATOM 33 C ARG A 3 -34.039 -7.496 -8.702 1.00 0.00 C ATOM 34 O ARG A 3 -33.812 -6.662 -9.557 1.00 0.00 O ATOM 35 CB ARG A 3 -36.446 -7.252 -9.322 1.00 0.00 C ATOM 36 CG ARG A 3 -36.320 -7.607 -10.805 1.00 0.00 C ATOM 37 CD ARG A 3 -37.563 -7.127 -11.555 1.00 0.00 C ATOM 38 NE ARG A 3 -37.404 -5.688 -11.906 1.00 0.00 N ATOM 39 CZ ARG A 3 -38.458 -4.942 -12.100 1.00 0.00 C ATOM 40 NH1 ARG A 3 -39.310 -5.247 -13.040 1.00 0.00 N ATOM 41 NH2 ARG A 3 -38.656 -3.889 -11.355 1.00 0.00 N ATOM 0 H ARG A 3 -35.821 -8.921 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 3 -35.461 -9.108 -8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -37.460 -7.452 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -36.263 -6.187 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -35.428 -7.144 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -36.205 -8.685 -10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -37.707 -7.719 -12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -38.450 -7.266 -10.937 1.00 0.00 H new ATOM 0 HE ARG A 3 -36.471 -5.285 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -39.153 -6.069 -13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -40.133 -4.664 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -37.988 -3.650 -10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -39.479 -3.305 -11.505 1.00 0.00 H new ATOM 55 N SER A 4 -33.096 -7.930 -7.911 1.00 0.00 N ATOM 56 CA SER A 4 -31.709 -7.403 -8.047 1.00 0.00 C ATOM 57 C SER A 4 -31.691 -5.916 -7.668 1.00 0.00 C ATOM 58 O SER A 4 -32.413 -5.129 -8.246 1.00 0.00 O ATOM 59 CB SER A 4 -31.244 -7.563 -9.495 1.00 0.00 C ATOM 60 OG SER A 4 -29.858 -7.873 -9.510 1.00 0.00 O ATOM 0 H SER A 4 -33.226 -8.626 -7.177 1.00 0.00 H new ATOM 0 HA SER A 4 -31.042 -7.957 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 4 -31.811 -8.354 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 4 -31.429 -6.645 -10.052 1.00 0.00 H new ATOM 0 HG SER A 4 -29.556 -7.978 -10.436 1.00 0.00 H new ATOM 66 N PRO A 5 -30.869 -5.574 -6.706 1.00 0.00 N ATOM 67 CA PRO A 5 -30.744 -4.184 -6.232 1.00 0.00 C ATOM 68 C PRO A 5 -29.886 -3.365 -7.202 1.00 0.00 C ATOM 69 O PRO A 5 -29.191 -3.906 -8.039 1.00 0.00 O ATOM 70 CB PRO A 5 -30.048 -4.328 -4.876 1.00 0.00 C ATOM 71 CG PRO A 5 -29.313 -5.688 -4.905 1.00 0.00 C ATOM 72 CD PRO A 5 -29.991 -6.531 -6.002 1.00 0.00 C ATOM 0 HA PRO A 5 -31.701 -3.667 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -29.346 -3.511 -4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -30.772 -4.295 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -28.253 -5.551 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -29.380 -6.185 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -29.257 -6.969 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -30.562 -7.355 -5.575 1.00 0.00 H new ATOM 80 N ASP A 6 -29.931 -2.064 -7.095 1.00 0.00 N ATOM 81 CA ASP A 6 -29.119 -1.213 -8.011 1.00 0.00 C ATOM 82 C ASP A 6 -28.863 0.145 -7.353 1.00 0.00 C ATOM 83 O ASP A 6 -28.868 1.172 -8.002 1.00 0.00 O ATOM 84 CB ASP A 6 -29.877 -1.009 -9.325 1.00 0.00 C ATOM 85 CG ASP A 6 -31.356 -0.762 -9.026 1.00 0.00 C ATOM 86 OD1 ASP A 6 -31.676 -0.529 -7.872 1.00 0.00 O ATOM 87 OD2 ASP A 6 -32.145 -0.810 -9.956 1.00 0.00 O ATOM 0 H ASP A 6 -30.494 -1.555 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 6 -28.167 -1.704 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -29.459 -0.163 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -29.765 -1.886 -9.962 1.00 0.00 H new ATOM 92 N ALA A 7 -28.641 0.159 -6.066 1.00 0.00 N ATOM 93 CA ALA A 7 -28.387 1.452 -5.370 1.00 0.00 C ATOM 94 C ALA A 7 -26.912 1.538 -4.967 1.00 0.00 C ATOM 95 O ALA A 7 -26.421 2.586 -4.599 1.00 0.00 O ATOM 96 CB ALA A 7 -29.261 1.535 -4.116 1.00 0.00 C ATOM 0 H ALA A 7 -28.625 -0.667 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 7 -28.629 2.277 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -29.076 2.480 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -30.312 1.475 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -29.018 0.709 -3.448 1.00 0.00 H new ATOM 102 N LYS A 8 -26.203 0.444 -5.034 1.00 0.00 N ATOM 103 CA LYS A 8 -24.762 0.466 -4.652 1.00 0.00 C ATOM 104 C LYS A 8 -24.639 0.691 -3.144 1.00 0.00 C ATOM 105 O LYS A 8 -25.316 1.524 -2.575 1.00 0.00 O ATOM 106 CB LYS A 8 -24.052 1.598 -5.398 1.00 0.00 C ATOM 107 CG LYS A 8 -23.056 1.006 -6.398 1.00 0.00 C ATOM 108 CD LYS A 8 -23.389 1.506 -7.806 1.00 0.00 C ATOM 109 CE LYS A 8 -23.042 2.992 -7.916 1.00 0.00 C ATOM 110 NZ LYS A 8 -24.296 3.786 -8.047 1.00 0.00 N ATOM 0 H LYS A 8 -26.559 -0.463 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.301 -0.486 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -24.782 2.218 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -23.532 2.244 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.040 1.294 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.097 -0.083 -6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.830 0.935 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -24.447 1.352 -8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.486 3.313 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.398 3.163 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -24.087 4.691 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -24.986 3.254 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.692 3.968 -7.103 1.00 0.00 H new ATOM 124 N GLU A 9 -23.784 -0.046 -2.491 1.00 0.00 N ATOM 125 CA GLU A 9 -23.624 0.126 -1.020 1.00 0.00 C ATOM 126 C GLU A 9 -22.231 -0.345 -0.599 1.00 0.00 C ATOM 127 O GLU A 9 -21.486 -0.895 -1.386 1.00 0.00 O ATOM 128 CB GLU A 9 -24.682 -0.705 -0.294 1.00 0.00 C ATOM 129 CG GLU A 9 -25.411 0.171 0.727 1.00 0.00 C ATOM 130 CD GLU A 9 -26.729 -0.497 1.123 1.00 0.00 C ATOM 131 OE1 GLU A 9 -27.014 -1.559 0.594 1.00 0.00 O ATOM 132 OE2 GLU A 9 -27.431 0.065 1.947 1.00 0.00 O ATOM 0 H GLU A 9 -23.189 -0.760 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.745 1.178 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -25.394 -1.114 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.213 -1.552 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.786 0.318 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -25.603 1.157 0.305 1.00 0.00 H new ATOM 139 N ASP A 10 -21.873 -0.135 0.638 1.00 0.00 N ATOM 140 CA ASP A 10 -20.529 -0.571 1.109 1.00 0.00 C ATOM 141 C ASP A 10 -19.448 0.219 0.367 1.00 0.00 C ATOM 142 O ASP A 10 -19.595 0.517 -0.803 1.00 0.00 O ATOM 143 CB ASP A 10 -20.352 -2.065 0.829 1.00 0.00 C ATOM 144 CG ASP A 10 -20.564 -2.858 2.120 1.00 0.00 C ATOM 145 OD1 ASP A 10 -19.695 -2.802 2.975 1.00 0.00 O ATOM 146 OD2 ASP A 10 -21.591 -3.506 2.232 1.00 0.00 O ATOM 0 H ASP A 10 -22.454 0.320 1.343 1.00 0.00 H new ATOM 0 HA ASP A 10 -20.441 -0.389 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -21.064 -2.390 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.354 -2.255 0.433 1.00 0.00 H new ATOM 151 N PRO A 11 -18.391 0.537 1.070 1.00 0.00 N ATOM 152 CA PRO A 11 -17.261 1.296 0.508 1.00 0.00 C ATOM 153 C PRO A 11 -16.365 0.374 -0.323 1.00 0.00 C ATOM 154 O PRO A 11 -16.706 -0.761 -0.593 1.00 0.00 O ATOM 155 CB PRO A 11 -16.519 1.806 1.746 1.00 0.00 C ATOM 156 CG PRO A 11 -16.911 0.863 2.908 1.00 0.00 C ATOM 157 CD PRO A 11 -18.223 0.171 2.492 1.00 0.00 C ATOM 0 HA PRO A 11 -17.572 2.102 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.441 1.796 1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.798 2.836 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.127 0.128 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.045 1.424 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -18.161 -0.910 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -19.064 0.516 3.094 1.00 0.00 H new ATOM 165 N VAL A 12 -15.219 0.849 -0.727 1.00 0.00 N ATOM 166 CA VAL A 12 -14.304 -0.003 -1.535 1.00 0.00 C ATOM 167 C VAL A 12 -14.035 -1.308 -0.785 1.00 0.00 C ATOM 168 O VAL A 12 -14.055 -1.352 0.429 1.00 0.00 O ATOM 169 CB VAL A 12 -12.987 0.738 -1.764 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.126 -0.044 -2.758 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.279 2.131 -2.328 1.00 0.00 C ATOM 0 H VAL A 12 -14.877 1.790 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.765 -0.225 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.454 0.832 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.187 0.485 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.919 -1.036 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.658 -0.138 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.341 2.661 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.812 2.036 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.892 2.689 -1.620 1.00 0.00 H new ATOM 181 N GLU A 13 -13.787 -2.374 -1.496 1.00 0.00 N ATOM 182 CA GLU A 13 -13.521 -3.674 -0.818 1.00 0.00 C ATOM 183 C GLU A 13 -12.162 -4.214 -1.266 1.00 0.00 C ATOM 184 O GLU A 13 -11.843 -4.225 -2.439 1.00 0.00 O ATOM 185 CB GLU A 13 -14.619 -4.673 -1.190 1.00 0.00 C ATOM 186 CG GLU A 13 -15.978 -3.971 -1.155 1.00 0.00 C ATOM 187 CD GLU A 13 -16.939 -4.759 -0.263 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.524 -5.161 0.812 1.00 0.00 O ATOM 189 OE2 GLU A 13 -18.074 -4.946 -0.670 1.00 0.00 O ATOM 0 H GLU A 13 -13.757 -2.401 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.513 -3.529 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.433 -5.081 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.613 -5.512 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.864 -2.955 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.384 -3.892 -2.163 1.00 0.00 H new ATOM 196 N CYS A 14 -11.357 -4.659 -0.341 1.00 0.00 N ATOM 197 CA CYS A 14 -10.017 -5.196 -0.711 1.00 0.00 C ATOM 198 C CYS A 14 -10.148 -6.096 -1.946 1.00 0.00 C ATOM 199 O CYS A 14 -10.805 -7.114 -1.893 1.00 0.00 O ATOM 200 CB CYS A 14 -9.458 -6.020 0.455 1.00 0.00 C ATOM 201 SG CYS A 14 -7.749 -6.494 0.091 1.00 0.00 S ATOM 0 H CYS A 14 -11.570 -4.674 0.656 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.344 -4.367 -0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.498 -5.440 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.068 -6.909 0.612 1.00 0.00 H new ATOM 206 N PRO A 15 -9.512 -5.701 -3.023 1.00 0.00 N ATOM 207 CA PRO A 15 -9.536 -6.469 -4.281 1.00 0.00 C ATOM 208 C PRO A 15 -8.525 -7.620 -4.209 1.00 0.00 C ATOM 209 O PRO A 15 -8.260 -8.291 -5.188 1.00 0.00 O ATOM 210 CB PRO A 15 -9.110 -5.443 -5.334 1.00 0.00 C ATOM 211 CG PRO A 15 -8.326 -4.343 -4.578 1.00 0.00 C ATOM 212 CD PRO A 15 -8.724 -4.453 -3.095 1.00 0.00 C ATOM 0 HA PRO A 15 -10.506 -6.917 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.488 -5.907 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.979 -5.023 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.252 -4.480 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.569 -3.356 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.847 -4.498 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.311 -3.592 -2.775 1.00 0.00 H new ATOM 220 N LEU A 16 -7.947 -7.840 -3.059 1.00 0.00 N ATOM 221 CA LEU A 16 -6.942 -8.930 -2.916 1.00 0.00 C ATOM 222 C LEU A 16 -7.545 -10.098 -2.132 1.00 0.00 C ATOM 223 O LEU A 16 -7.264 -11.249 -2.398 1.00 0.00 O ATOM 224 CB LEU A 16 -5.730 -8.383 -2.159 1.00 0.00 C ATOM 225 CG LEU A 16 -4.802 -7.617 -3.112 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.859 -8.601 -3.802 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.621 -6.863 -4.169 1.00 0.00 C ATOM 0 H LEU A 16 -8.130 -7.308 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.642 -9.283 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.062 -7.724 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.185 -9.203 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.224 -6.894 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.199 -8.059 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.262 -9.120 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.442 -9.328 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.947 -6.325 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.212 -7.574 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.286 -6.154 -3.676 1.00 0.00 H new ATOM 239 N CYS A 17 -8.373 -9.811 -1.166 1.00 0.00 N ATOM 240 CA CYS A 17 -8.994 -10.903 -0.364 1.00 0.00 C ATOM 241 C CYS A 17 -10.500 -10.660 -0.264 1.00 0.00 C ATOM 242 O CYS A 17 -11.217 -11.382 0.401 1.00 0.00 O ATOM 243 CB CYS A 17 -8.378 -10.918 1.039 1.00 0.00 C ATOM 244 SG CYS A 17 -8.976 -9.491 1.983 1.00 0.00 S ATOM 0 H CYS A 17 -8.647 -8.866 -0.897 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.813 -11.863 -0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.642 -11.843 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.291 -10.891 0.970 1.00 0.00 H new ATOM 249 N MET A 18 -10.980 -9.641 -0.920 1.00 0.00 N ATOM 250 CA MET A 18 -12.433 -9.331 -0.873 1.00 0.00 C ATOM 251 C MET A 18 -12.859 -9.066 0.572 1.00 0.00 C ATOM 252 O MET A 18 -12.902 -9.962 1.391 1.00 0.00 O ATOM 253 CB MET A 18 -13.228 -10.512 -1.431 1.00 0.00 C ATOM 254 CG MET A 18 -13.452 -10.312 -2.930 1.00 0.00 C ATOM 255 SD MET A 18 -15.086 -10.946 -3.385 1.00 0.00 S ATOM 256 CE MET A 18 -15.200 -10.138 -5.000 1.00 0.00 C ATOM 0 H MET A 18 -10.422 -9.006 -1.491 1.00 0.00 H new ATOM 0 HA MET A 18 -12.630 -8.444 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.689 -11.443 -1.254 1.00 0.00 H new ATOM 0 HB3 MET A 18 -14.186 -10.595 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.377 -9.254 -3.182 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.678 -10.830 -3.497 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.149 -10.396 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.141 -9.057 -4.871 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.379 -10.474 -5.633 1.00 0.00 H new ATOM 266 N GLU A 19 -13.179 -7.841 0.891 1.00 0.00 N ATOM 267 CA GLU A 19 -13.608 -7.522 2.283 1.00 0.00 C ATOM 268 C GLU A 19 -13.939 -6.030 2.389 1.00 0.00 C ATOM 269 O GLU A 19 -13.632 -5.263 1.498 1.00 0.00 O ATOM 270 CB GLU A 19 -12.481 -7.866 3.257 1.00 0.00 C ATOM 271 CG GLU A 19 -12.899 -9.059 4.118 1.00 0.00 C ATOM 272 CD GLU A 19 -12.229 -8.961 5.490 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.103 -8.496 5.545 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.855 -9.352 6.461 1.00 0.00 O ATOM 0 H GLU A 19 -13.162 -7.049 0.249 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.493 -8.107 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.570 -8.102 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.258 -7.007 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.983 -9.076 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.615 -9.991 3.629 1.00 0.00 H new ATOM 281 N PRO A 20 -14.564 -5.668 3.481 1.00 0.00 N ATOM 282 CA PRO A 20 -14.961 -4.273 3.744 1.00 0.00 C ATOM 283 C PRO A 20 -13.760 -3.447 4.213 1.00 0.00 C ATOM 284 O PRO A 20 -13.082 -3.799 5.159 1.00 0.00 O ATOM 285 CB PRO A 20 -16.002 -4.403 4.860 1.00 0.00 C ATOM 286 CG PRO A 20 -15.730 -5.760 5.554 1.00 0.00 C ATOM 287 CD PRO A 20 -14.931 -6.615 4.554 1.00 0.00 C ATOM 0 HA PRO A 20 -15.347 -3.765 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.916 -3.580 5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.013 -4.370 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.168 -5.617 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.665 -6.251 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.047 -7.051 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.529 -7.441 4.169 1.00 0.00 H new ATOM 295 N LEU A 21 -13.494 -2.348 3.561 1.00 0.00 N ATOM 296 CA LEU A 21 -12.343 -1.495 3.969 1.00 0.00 C ATOM 297 C LEU A 21 -12.839 -0.386 4.900 1.00 0.00 C ATOM 298 O LEU A 21 -13.927 0.128 4.740 1.00 0.00 O ATOM 299 CB LEU A 21 -11.708 -0.869 2.724 1.00 0.00 C ATOM 300 CG LEU A 21 -10.633 -1.806 2.173 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.082 -1.239 0.864 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.497 -1.928 3.190 1.00 0.00 C ATOM 0 H LEU A 21 -14.026 -2.004 2.762 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.603 -2.104 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.470 -0.688 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.270 0.097 2.973 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.068 -2.789 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.316 -1.908 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.890 -1.148 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.647 -0.257 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.729 -2.596 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.064 -0.944 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.887 -2.331 4.125 1.00 0.00 H new ATOM 314 N GLU A 22 -12.050 -0.011 5.870 1.00 0.00 N ATOM 315 CA GLU A 22 -12.480 1.065 6.807 1.00 0.00 C ATOM 316 C GLU A 22 -12.223 2.433 6.169 1.00 0.00 C ATOM 317 O GLU A 22 -12.254 2.581 4.963 1.00 0.00 O ATOM 318 CB GLU A 22 -11.686 0.955 8.111 1.00 0.00 C ATOM 319 CG GLU A 22 -11.795 -0.470 8.657 1.00 0.00 C ATOM 320 CD GLU A 22 -12.793 -0.499 9.816 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.848 0.100 9.679 1.00 0.00 O ATOM 322 OE2 GLU A 22 -12.488 -1.119 10.821 1.00 0.00 O ATOM 0 H GLU A 22 -11.127 -0.403 6.054 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.544 0.956 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.641 1.209 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.068 1.666 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.118 -1.149 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.819 -0.817 8.996 1.00 0.00 H new ATOM 329 N ILE A 23 -11.971 3.435 6.968 1.00 0.00 N ATOM 330 CA ILE A 23 -11.712 4.792 6.407 1.00 0.00 C ATOM 331 C ILE A 23 -10.219 4.948 6.111 1.00 0.00 C ATOM 332 O ILE A 23 -9.784 4.831 4.983 1.00 0.00 O ATOM 333 CB ILE A 23 -12.140 5.852 7.423 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.644 5.733 7.679 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.826 7.244 6.871 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.398 5.872 6.356 1.00 0.00 C ATOM 0 H ILE A 23 -11.933 3.372 7.985 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.280 4.917 5.485 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.598 5.701 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.870 4.772 8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.967 6.505 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.131 8.000 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.755 7.329 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.368 7.396 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.469 5.787 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.180 6.844 5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.082 5.084 5.673 1.00 0.00 H new ATOM 348 N ASP A 24 -9.433 5.216 7.118 1.00 0.00 N ATOM 349 CA ASP A 24 -7.969 5.383 6.898 1.00 0.00 C ATOM 350 C ASP A 24 -7.404 4.129 6.229 1.00 0.00 C ATOM 351 O ASP A 24 -6.357 4.161 5.612 1.00 0.00 O ATOM 352 CB ASP A 24 -7.274 5.600 8.244 1.00 0.00 C ATOM 353 CG ASP A 24 -5.788 5.877 8.013 1.00 0.00 C ATOM 354 OD1 ASP A 24 -5.120 5.007 7.477 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.342 6.953 8.377 1.00 0.00 O ATOM 0 H ASP A 24 -9.742 5.326 8.084 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.795 6.245 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.733 6.436 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.397 4.719 8.875 1.00 0.00 H new ATOM 360 N ASP A 25 -8.088 3.025 6.344 1.00 0.00 N ATOM 361 CA ASP A 25 -7.589 1.770 5.715 1.00 0.00 C ATOM 362 C ASP A 25 -7.659 1.898 4.191 1.00 0.00 C ATOM 363 O ASP A 25 -6.737 1.540 3.486 1.00 0.00 O ATOM 364 CB ASP A 25 -8.455 0.593 6.167 1.00 0.00 C ATOM 365 CG ASP A 25 -7.979 0.108 7.538 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.394 0.689 8.527 1.00 0.00 O ATOM 367 OD2 ASP A 25 -7.208 -0.837 7.575 1.00 0.00 O ATOM 0 H ASP A 25 -8.971 2.937 6.846 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.556 1.599 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.501 0.896 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.394 -0.218 5.441 1.00 0.00 H new ATOM 372 N ILE A 26 -8.748 2.402 3.679 1.00 0.00 N ATOM 373 CA ILE A 26 -8.876 2.549 2.202 1.00 0.00 C ATOM 374 C ILE A 26 -7.664 3.314 1.660 1.00 0.00 C ATOM 375 O ILE A 26 -6.793 2.748 1.031 1.00 0.00 O ATOM 376 CB ILE A 26 -10.157 3.319 1.877 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.369 2.417 2.133 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.143 3.743 0.407 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.655 3.224 1.948 1.00 0.00 C ATOM 0 H ILE A 26 -9.554 2.718 4.219 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.919 1.563 1.738 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.218 4.205 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.357 1.570 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.325 2.009 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.057 4.291 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.280 4.382 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.083 2.858 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.517 2.582 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.667 4.056 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.699 3.610 0.930 1.00 0.00 H new ATOM 391 N ASN A 27 -7.601 4.595 1.902 1.00 0.00 N ATOM 392 CA ASN A 27 -6.442 5.393 1.404 1.00 0.00 C ATOM 393 C ASN A 27 -5.140 4.760 1.895 1.00 0.00 C ATOM 394 O ASN A 27 -4.078 5.002 1.355 1.00 0.00 O ATOM 395 CB ASN A 27 -6.545 6.824 1.934 1.00 0.00 C ATOM 396 CG ASN A 27 -7.042 7.748 0.820 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.441 8.766 0.546 1.00 0.00 O ATOM 398 ND2 ASN A 27 -8.123 7.432 0.161 1.00 0.00 N ATOM 0 H ASN A 27 -8.301 5.124 2.422 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.451 5.407 0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.228 6.860 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.573 7.161 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.462 8.041 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.629 6.576 0.391 1.00 0.00 H new ATOM 405 N PHE A 28 -5.209 3.946 2.913 1.00 0.00 N ATOM 406 CA PHE A 28 -3.973 3.298 3.432 1.00 0.00 C ATOM 407 C PHE A 28 -3.557 2.172 2.485 1.00 0.00 C ATOM 408 O PHE A 28 -4.273 1.209 2.297 1.00 0.00 O ATOM 409 CB PHE A 28 -4.243 2.723 4.824 1.00 0.00 C ATOM 410 CG PHE A 28 -3.087 1.841 5.234 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.991 2.391 5.911 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.110 0.473 4.936 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.919 1.573 6.289 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.038 -0.345 5.314 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.943 0.206 5.990 1.00 0.00 C ATOM 0 H PHE A 28 -6.068 3.702 3.407 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.173 4.036 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.372 3.531 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.169 2.149 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.973 3.446 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.955 0.048 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.074 1.997 6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.056 -1.400 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.116 -0.424 6.281 1.00 0.00 H new ATOM 425 N PHE A 29 -2.405 2.285 1.883 1.00 0.00 N ATOM 426 CA PHE A 29 -1.947 1.220 0.946 1.00 0.00 C ATOM 427 C PHE A 29 -0.448 0.985 1.130 1.00 0.00 C ATOM 428 O PHE A 29 0.262 1.853 1.598 1.00 0.00 O ATOM 429 CB PHE A 29 -2.209 1.658 -0.497 1.00 0.00 C ATOM 430 CG PHE A 29 -2.067 3.157 -0.604 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.832 3.766 -0.344 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.177 3.938 -0.951 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.708 5.158 -0.435 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.053 5.329 -1.039 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.819 5.939 -0.782 1.00 0.00 C ATOM 0 H PHE A 29 -1.761 3.068 1.999 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.493 0.300 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.506 1.167 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.210 1.354 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.022 3.163 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.128 3.467 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.243 5.630 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.909 5.932 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.723 7.013 -0.851 1.00 0.00 H new ATOM 445 N PRO A 30 -0.010 -0.183 0.738 1.00 0.00 N ATOM 446 CA PRO A 30 1.406 -0.568 0.829 1.00 0.00 C ATOM 447 C PRO A 30 2.191 0.066 -0.323 1.00 0.00 C ATOM 448 O PRO A 30 3.366 -0.181 -0.495 1.00 0.00 O ATOM 449 CB PRO A 30 1.373 -2.093 0.703 1.00 0.00 C ATOM 450 CG PRO A 30 0.042 -2.445 -0.004 1.00 0.00 C ATOM 451 CD PRO A 30 -0.887 -1.228 0.171 1.00 0.00 C ATOM 0 HA PRO A 30 1.890 -0.239 1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.226 -2.454 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.428 -2.565 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.209 -2.656 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.404 -3.338 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.317 -0.915 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.719 -1.455 0.837 1.00 0.00 H new ATOM 459 N CYS A 31 1.546 0.886 -1.110 1.00 0.00 N ATOM 460 CA CYS A 31 2.249 1.543 -2.246 1.00 0.00 C ATOM 461 C CYS A 31 1.517 2.837 -2.614 1.00 0.00 C ATOM 462 O CYS A 31 0.312 2.934 -2.491 1.00 0.00 O ATOM 463 CB CYS A 31 2.262 0.605 -3.452 1.00 0.00 C ATOM 464 SG CYS A 31 3.322 1.306 -4.737 1.00 0.00 S ATOM 0 H CYS A 31 0.560 1.128 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 31 3.274 1.772 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.628 -0.379 -3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.250 0.469 -3.833 1.00 0.00 H new ATOM 469 N THR A 32 2.235 3.834 -3.050 1.00 0.00 N ATOM 470 CA THR A 32 1.580 5.125 -3.411 1.00 0.00 C ATOM 471 C THR A 32 1.188 5.131 -4.892 1.00 0.00 C ATOM 472 O THR A 32 1.157 6.167 -5.525 1.00 0.00 O ATOM 473 CB THR A 32 2.551 6.278 -3.141 1.00 0.00 C ATOM 474 OG1 THR A 32 3.684 5.785 -2.442 1.00 0.00 O ATOM 475 CG2 THR A 32 1.854 7.348 -2.299 1.00 0.00 C ATOM 0 H THR A 32 3.247 3.812 -3.172 1.00 0.00 H new ATOM 0 HA THR A 32 0.680 5.244 -2.807 1.00 0.00 H new ATOM 0 HB THR A 32 2.869 6.715 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.308 6.521 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.546 8.168 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.984 7.725 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.534 6.914 -1.352 1.00 0.00 H new ATOM 483 N CYS A 33 0.881 3.993 -5.456 1.00 0.00 N ATOM 484 CA CYS A 33 0.488 3.970 -6.895 1.00 0.00 C ATOM 485 C CYS A 33 -1.025 3.761 -7.010 1.00 0.00 C ATOM 486 O CYS A 33 -1.585 3.783 -8.088 1.00 0.00 O ATOM 487 CB CYS A 33 1.228 2.844 -7.624 1.00 0.00 C ATOM 488 SG CYS A 33 0.528 1.237 -7.165 1.00 0.00 S ATOM 0 H CYS A 33 0.885 3.087 -4.988 1.00 0.00 H new ATOM 0 HA CYS A 33 0.756 4.921 -7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.153 2.987 -8.702 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.288 2.873 -7.372 1.00 0.00 H new ATOM 493 N GLY A 34 -1.692 3.564 -5.904 1.00 0.00 N ATOM 494 CA GLY A 34 -3.168 3.360 -5.948 1.00 0.00 C ATOM 495 C GLY A 34 -3.506 1.949 -5.468 1.00 0.00 C ATOM 496 O GLY A 34 -4.331 1.768 -4.597 1.00 0.00 O ATOM 0 H GLY A 34 -1.278 3.536 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.666 4.098 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.535 3.507 -6.964 1.00 0.00 H new ATOM 500 N TYR A 35 -2.874 0.949 -6.024 1.00 0.00 N ATOM 501 CA TYR A 35 -3.158 -0.451 -5.591 1.00 0.00 C ATOM 502 C TYR A 35 -3.240 -0.485 -4.060 1.00 0.00 C ATOM 503 O TYR A 35 -2.243 -0.588 -3.375 1.00 0.00 O ATOM 504 CB TYR A 35 -2.032 -1.368 -6.100 1.00 0.00 C ATOM 505 CG TYR A 35 -1.843 -2.562 -5.187 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.785 -3.601 -5.174 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.715 -2.632 -4.361 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.595 -4.706 -4.335 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.527 -3.736 -3.522 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.466 -4.773 -3.509 1.00 0.00 C ATOM 511 OH TYR A 35 -1.280 -5.863 -2.683 1.00 0.00 O ATOM 0 H TYR A 35 -2.173 1.041 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.105 -0.800 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.266 -1.711 -7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.101 -0.804 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.656 -3.549 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.011 -1.833 -4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.319 -5.507 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.343 -3.788 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.321 -6.017 -2.555 1.00 0.00 H new ATOM 521 N GLN A 36 -4.426 -0.386 -3.526 1.00 0.00 N ATOM 522 CA GLN A 36 -4.580 -0.397 -2.045 1.00 0.00 C ATOM 523 C GLN A 36 -5.183 -1.728 -1.598 1.00 0.00 C ATOM 524 O GLN A 36 -6.055 -2.276 -2.243 1.00 0.00 O ATOM 525 CB GLN A 36 -5.502 0.749 -1.611 1.00 0.00 C ATOM 526 CG GLN A 36 -6.525 1.038 -2.712 1.00 0.00 C ATOM 527 CD GLN A 36 -7.746 1.730 -2.104 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.709 1.083 -1.746 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.746 3.029 -1.971 1.00 0.00 N ATOM 0 H GLN A 36 -5.295 -0.298 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.600 -0.269 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.015 0.485 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.914 1.643 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.080 1.671 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.824 0.109 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.937 3.572 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.555 3.500 -1.566 1.00 0.00 H new ATOM 538 N ILE A 37 -4.724 -2.248 -0.495 1.00 0.00 N ATOM 539 CA ILE A 37 -5.267 -3.540 0.002 1.00 0.00 C ATOM 540 C ILE A 37 -5.706 -3.375 1.456 1.00 0.00 C ATOM 541 O ILE A 37 -5.644 -2.298 2.016 1.00 0.00 O ATOM 542 CB ILE A 37 -4.184 -4.615 -0.087 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.944 -4.155 0.683 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.815 -4.841 -1.554 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.995 -5.339 0.877 1.00 0.00 C ATOM 0 H ILE A 37 -3.995 -1.832 0.084 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.122 -3.837 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.556 -5.544 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.440 -3.357 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.235 -3.746 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.043 -5.607 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.697 -5.166 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.442 -3.911 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.112 -5.011 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.502 -6.123 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.694 -5.728 -0.096 1.00 0.00 H new ATOM 557 N CYS A 38 -6.148 -4.433 2.074 1.00 0.00 N ATOM 558 CA CYS A 38 -6.587 -4.336 3.490 1.00 0.00 C ATOM 559 C CYS A 38 -5.391 -4.621 4.403 1.00 0.00 C ATOM 560 O CYS A 38 -4.390 -5.159 3.975 1.00 0.00 O ATOM 561 CB CYS A 38 -7.709 -5.352 3.743 1.00 0.00 C ATOM 562 SG CYS A 38 -7.023 -7.025 3.851 1.00 0.00 S ATOM 0 H CYS A 38 -6.224 -5.361 1.658 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.965 -3.336 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.232 -5.105 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.443 -5.303 2.938 1.00 0.00 H new ATOM 567 N ARG A 39 -5.478 -4.263 5.653 1.00 0.00 N ATOM 568 CA ARG A 39 -4.335 -4.519 6.574 1.00 0.00 C ATOM 569 C ARG A 39 -4.123 -6.029 6.707 1.00 0.00 C ATOM 570 O ARG A 39 -3.077 -6.488 7.123 1.00 0.00 O ATOM 571 CB ARG A 39 -4.638 -3.920 7.948 1.00 0.00 C ATOM 572 CG ARG A 39 -3.504 -2.974 8.349 1.00 0.00 C ATOM 573 CD ARG A 39 -4.078 -1.789 9.127 1.00 0.00 C ATOM 574 NE ARG A 39 -2.997 -1.156 9.934 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.276 -0.164 10.736 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.520 0.148 10.981 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.311 0.516 11.293 1.00 0.00 N ATOM 0 H ARG A 39 -6.286 -3.807 6.076 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.433 -4.057 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.585 -3.380 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.744 -4.713 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.773 -3.504 8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.980 -2.620 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.506 -1.061 8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.885 -2.124 9.779 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.039 -1.498 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.274 -0.383 10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.738 0.923 11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.339 0.272 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.529 1.291 11.919 1.00 0.00 H new ATOM 591 N PHE A 40 -5.113 -6.804 6.354 1.00 0.00 N ATOM 592 CA PHE A 40 -4.980 -8.286 6.455 1.00 0.00 C ATOM 593 C PHE A 40 -4.156 -8.814 5.276 1.00 0.00 C ATOM 594 O PHE A 40 -3.574 -9.878 5.343 1.00 0.00 O ATOM 595 CB PHE A 40 -6.373 -8.920 6.423 1.00 0.00 C ATOM 596 CG PHE A 40 -6.501 -9.930 7.538 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.387 -10.679 7.938 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.735 -10.119 8.172 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.509 -11.616 8.972 1.00 0.00 C ATOM 600 CE2 PHE A 40 -7.857 -11.056 9.205 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.743 -11.805 9.605 1.00 0.00 C ATOM 0 H PHE A 40 -6.010 -6.474 5.999 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.478 -8.542 7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.136 -8.149 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.540 -9.404 5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.435 -10.534 7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.594 -9.541 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.650 -12.193 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.809 -11.201 9.693 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.836 -12.528 10.402 1.00 0.00 H new ATOM 611 N CYS A 41 -4.104 -8.081 4.197 1.00 0.00 N ATOM 612 CA CYS A 41 -3.321 -8.543 3.017 1.00 0.00 C ATOM 613 C CYS A 41 -1.888 -8.015 3.125 1.00 0.00 C ATOM 614 O CYS A 41 -0.954 -8.619 2.635 1.00 0.00 O ATOM 615 CB CYS A 41 -3.973 -8.020 1.730 1.00 0.00 C ATOM 616 SG CYS A 41 -5.315 -9.133 1.237 1.00 0.00 S ATOM 0 H CYS A 41 -4.571 -7.181 4.082 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.305 -9.633 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.361 -7.014 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.231 -7.954 0.935 1.00 0.00 H new ATOM 621 N TRP A 42 -1.708 -6.893 3.768 1.00 0.00 N ATOM 622 CA TRP A 42 -0.336 -6.327 3.913 1.00 0.00 C ATOM 623 C TRP A 42 0.432 -7.132 4.963 1.00 0.00 C ATOM 624 O TRP A 42 1.647 -7.122 5.004 1.00 0.00 O ATOM 625 CB TRP A 42 -0.433 -4.864 4.357 1.00 0.00 C ATOM 626 CG TRP A 42 0.911 -4.380 4.808 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.892 -3.939 3.989 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.434 -4.283 6.164 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.986 -3.576 4.755 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.752 -3.769 6.102 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.900 -4.586 7.430 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.512 -3.565 7.255 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.663 -4.382 8.591 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.965 -3.872 8.504 1.00 0.00 C ATOM 0 H TRP A 42 -2.452 -6.344 4.199 1.00 0.00 H new ATOM 0 HA TRP A 42 0.187 -6.380 2.958 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.794 -4.248 3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.155 -4.768 5.168 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.832 -3.880 2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.858 -3.211 4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.103 -4.978 7.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.516 -3.173 7.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.243 -4.620 9.557 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.545 -3.716 9.401 1.00 0.00 H new ATOM 645 N HIS A 43 -0.268 -7.831 5.814 1.00 0.00 N ATOM 646 CA HIS A 43 0.417 -8.636 6.863 1.00 0.00 C ATOM 647 C HIS A 43 0.961 -9.926 6.244 1.00 0.00 C ATOM 648 O HIS A 43 1.559 -10.742 6.917 1.00 0.00 O ATOM 649 CB HIS A 43 -0.581 -8.985 7.968 1.00 0.00 C ATOM 650 CG HIS A 43 -0.447 -7.999 9.095 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.281 -8.281 10.242 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.940 -6.730 9.267 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.206 -7.205 11.044 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.526 -6.229 10.498 1.00 0.00 N ATOM 0 H HIS A 43 -1.287 -7.879 5.828 1.00 0.00 H new ATOM 0 HA HIS A 43 1.241 -8.059 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.597 -8.967 7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.398 -9.996 8.332 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.556 -6.200 8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.680 -7.137 12.012 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.736 -5.314 10.897 1.00 0.00 H new ATOM 662 N ARG A 44 0.755 -10.122 4.970 1.00 0.00 N ATOM 663 CA ARG A 44 1.259 -11.365 4.321 1.00 0.00 C ATOM 664 C ARG A 44 2.172 -11.005 3.146 1.00 0.00 C ATOM 665 O ARG A 44 2.940 -11.819 2.675 1.00 0.00 O ATOM 666 CB ARG A 44 0.075 -12.188 3.812 1.00 0.00 C ATOM 667 CG ARG A 44 0.016 -13.516 4.567 1.00 0.00 C ATOM 668 CD ARG A 44 -0.898 -14.487 3.820 1.00 0.00 C ATOM 669 NE ARG A 44 -2.237 -13.861 3.628 1.00 0.00 N ATOM 670 CZ ARG A 44 -3.204 -14.122 4.465 1.00 0.00 C ATOM 671 NH1 ARG A 44 -3.480 -13.282 5.426 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.894 -15.222 4.341 1.00 0.00 N ATOM 0 H ARG A 44 0.261 -9.477 4.353 1.00 0.00 H new ATOM 0 HA ARG A 44 1.824 -11.947 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.854 -11.635 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.178 -12.370 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.016 -13.939 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.356 -13.355 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.463 -14.743 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.996 -15.416 4.382 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.397 -13.229 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.940 -12.422 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.236 -13.486 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.678 -15.878 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.650 -15.426 4.995 1.00 0.00 H new ATOM 686 N ILE A 45 2.094 -9.794 2.663 1.00 0.00 N ATOM 687 CA ILE A 45 2.960 -9.396 1.517 1.00 0.00 C ATOM 688 C ILE A 45 4.371 -9.091 2.019 1.00 0.00 C ATOM 689 O ILE A 45 5.348 -9.592 1.499 1.00 0.00 O ATOM 690 CB ILE A 45 2.383 -8.149 0.846 1.00 0.00 C ATOM 691 CG1 ILE A 45 0.993 -8.468 0.293 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.300 -7.717 -0.301 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.286 -7.167 -0.091 1.00 0.00 C ATOM 0 H ILE A 45 1.470 -9.066 3.011 1.00 0.00 H new ATOM 0 HA ILE A 45 2.998 -10.214 0.797 1.00 0.00 H new ATOM 0 HB ILE A 45 2.309 -7.343 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.077 -9.119 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.408 -9.006 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.889 -6.828 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.292 -7.493 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.372 -8.522 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.705 -7.394 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.189 -6.532 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.869 -6.647 -0.851 1.00 0.00 H new ATOM 705 N ARG A 46 4.490 -8.270 3.027 1.00 0.00 N ATOM 706 CA ARG A 46 5.841 -7.933 3.555 1.00 0.00 C ATOM 707 C ARG A 46 6.466 -9.176 4.193 1.00 0.00 C ATOM 708 O ARG A 46 7.625 -9.182 4.554 1.00 0.00 O ATOM 709 CB ARG A 46 5.717 -6.829 4.605 1.00 0.00 C ATOM 710 CG ARG A 46 6.964 -5.943 4.563 1.00 0.00 C ATOM 711 CD ARG A 46 6.729 -4.779 3.600 1.00 0.00 C ATOM 712 NE ARG A 46 7.354 -3.544 4.151 1.00 0.00 N ATOM 713 CZ ARG A 46 8.462 -3.088 3.633 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.276 -3.900 3.015 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.754 -1.820 3.732 1.00 0.00 N ATOM 0 H ARG A 46 3.711 -7.819 3.506 1.00 0.00 H new ATOM 0 HA ARG A 46 6.474 -7.588 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.826 -6.230 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.602 -7.267 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.188 -5.564 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.827 -6.526 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.154 -5.010 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.660 -4.624 3.454 1.00 0.00 H new ATOM 0 HE ARG A 46 6.917 -3.055 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.046 -4.891 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.142 -3.544 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.117 -1.186 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.620 -1.463 3.328 1.00 0.00 H new ATOM 729 N THR A 47 5.707 -10.228 4.338 1.00 0.00 N ATOM 730 CA THR A 47 6.263 -11.465 4.957 1.00 0.00 C ATOM 731 C THR A 47 6.347 -12.574 3.906 1.00 0.00 C ATOM 732 O THR A 47 7.417 -12.951 3.471 1.00 0.00 O ATOM 733 CB THR A 47 5.353 -11.913 6.104 1.00 0.00 C ATOM 734 OG1 THR A 47 4.035 -11.432 5.874 1.00 0.00 O ATOM 735 CG2 THR A 47 5.881 -11.351 7.424 1.00 0.00 C ATOM 0 H THR A 47 4.729 -10.285 4.055 1.00 0.00 H new ATOM 0 HA THR A 47 7.261 -11.260 5.343 1.00 0.00 H new ATOM 0 HB THR A 47 5.339 -13.002 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.533 -11.437 6.716 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.233 -11.670 8.240 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.892 -11.720 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.895 -10.262 7.376 1.00 0.00 H new ATOM 743 N ASP A 48 5.227 -13.101 3.496 1.00 0.00 N ATOM 744 CA ASP A 48 5.241 -14.188 2.477 1.00 0.00 C ATOM 745 C ASP A 48 5.783 -13.645 1.150 1.00 0.00 C ATOM 746 O ASP A 48 6.217 -14.392 0.296 1.00 0.00 O ATOM 747 CB ASP A 48 3.819 -14.709 2.270 1.00 0.00 C ATOM 748 CG ASP A 48 3.619 -15.986 3.088 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.601 -16.502 3.596 1.00 0.00 O ATOM 750 OD2 ASP A 48 2.487 -16.428 3.193 1.00 0.00 O ATOM 0 H ASP A 48 4.301 -12.826 3.823 1.00 0.00 H new ATOM 0 HA ASP A 48 5.881 -14.999 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.095 -13.953 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.644 -14.910 1.213 1.00 0.00 H new ATOM 755 N GLU A 49 5.758 -12.353 0.969 1.00 0.00 N ATOM 756 CA GLU A 49 6.269 -11.771 -0.306 1.00 0.00 C ATOM 757 C GLU A 49 7.634 -11.121 -0.061 1.00 0.00 C ATOM 758 O GLU A 49 8.400 -11.557 0.775 1.00 0.00 O ATOM 759 CB GLU A 49 5.283 -10.717 -0.816 1.00 0.00 C ATOM 760 CG GLU A 49 5.139 -10.845 -2.334 1.00 0.00 C ATOM 761 CD GLU A 49 3.668 -11.071 -2.690 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.009 -11.801 -1.969 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.225 -10.508 -3.679 1.00 0.00 O ATOM 0 H GLU A 49 5.407 -11.676 1.646 1.00 0.00 H new ATOM 0 HA GLU A 49 6.373 -12.560 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.313 -10.848 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.635 -9.719 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.508 -9.943 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.744 -11.675 -2.699 1.00 0.00 H new ATOM 770 N ASN A 50 7.946 -10.082 -0.788 1.00 0.00 N ATOM 771 CA ASN A 50 9.259 -9.405 -0.599 1.00 0.00 C ATOM 772 C ASN A 50 9.031 -8.004 -0.028 1.00 0.00 C ATOM 773 O ASN A 50 9.948 -7.350 0.425 1.00 0.00 O ATOM 774 CB ASN A 50 9.973 -9.295 -1.949 1.00 0.00 C ATOM 775 CG ASN A 50 11.324 -8.605 -1.762 1.00 0.00 C ATOM 776 OD1 ASN A 50 12.118 -9.010 -0.935 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.623 -7.570 -2.500 1.00 0.00 N ATOM 0 H ASN A 50 7.347 -9.673 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 50 9.872 -9.984 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.117 -10.287 -2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.359 -8.730 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.522 -7.102 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.958 -7.229 -3.194 1.00 0.00 H new ATOM 784 N GLY A 51 7.812 -7.540 -0.049 1.00 0.00 N ATOM 785 CA GLY A 51 7.522 -6.181 0.490 1.00 0.00 C ATOM 786 C GLY A 51 7.416 -5.188 -0.668 1.00 0.00 C ATOM 787 O GLY A 51 7.383 -3.987 -0.471 1.00 0.00 O ATOM 0 H GLY A 51 7.004 -8.043 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.592 -6.194 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.311 -5.874 1.176 1.00 0.00 H new ATOM 791 N LEU A 52 7.363 -5.680 -1.876 1.00 0.00 N ATOM 792 CA LEU A 52 7.259 -4.766 -3.047 1.00 0.00 C ATOM 793 C LEU A 52 5.809 -4.725 -3.534 1.00 0.00 C ATOM 794 O LEU A 52 4.990 -5.539 -3.156 1.00 0.00 O ATOM 795 CB LEU A 52 8.160 -5.274 -4.176 1.00 0.00 C ATOM 796 CG LEU A 52 9.617 -4.922 -3.869 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.494 -5.292 -5.067 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.736 -3.420 -3.600 1.00 0.00 C ATOM 0 H LEU A 52 7.387 -6.674 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 52 7.574 -3.765 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.051 -6.353 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.859 -4.827 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 52 9.945 -5.477 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.532 -5.041 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.412 -6.361 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.164 -4.737 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.774 -3.171 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.407 -2.866 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.111 -3.152 -2.748 1.00 0.00 H new ATOM 810 N CYS A 53 5.493 -3.780 -4.372 1.00 0.00 N ATOM 811 CA CYS A 53 4.103 -3.666 -4.897 1.00 0.00 C ATOM 812 C CYS A 53 3.960 -4.557 -6.142 1.00 0.00 C ATOM 813 O CYS A 53 4.707 -4.411 -7.088 1.00 0.00 O ATOM 814 CB CYS A 53 3.848 -2.203 -5.268 1.00 0.00 C ATOM 815 SG CYS A 53 2.190 -1.999 -5.960 1.00 0.00 S ATOM 0 H CYS A 53 6.143 -3.075 -4.720 1.00 0.00 H new ATOM 0 HA CYS A 53 3.381 -3.988 -4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.959 -1.574 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.593 -1.871 -5.991 1.00 0.00 H new ATOM 820 N PRO A 54 3.010 -5.460 -6.105 1.00 0.00 N ATOM 821 CA PRO A 54 2.762 -6.392 -7.222 1.00 0.00 C ATOM 822 C PRO A 54 2.002 -5.688 -8.348 1.00 0.00 C ATOM 823 O PRO A 54 1.825 -6.226 -9.424 1.00 0.00 O ATOM 824 CB PRO A 54 1.904 -7.490 -6.589 1.00 0.00 C ATOM 825 CG PRO A 54 1.242 -6.859 -5.340 1.00 0.00 C ATOM 826 CD PRO A 54 2.099 -5.638 -4.957 1.00 0.00 C ATOM 0 HA PRO A 54 3.678 -6.778 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.150 -7.847 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.514 -8.350 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.216 -6.560 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.200 -7.576 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.483 -4.753 -4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.651 -5.813 -4.034 1.00 0.00 H new ATOM 834 N ALA A 55 1.547 -4.493 -8.106 1.00 0.00 N ATOM 835 CA ALA A 55 0.791 -3.755 -9.155 1.00 0.00 C ATOM 836 C ALA A 55 1.753 -2.901 -9.987 1.00 0.00 C ATOM 837 O ALA A 55 1.649 -2.836 -11.196 1.00 0.00 O ATOM 838 CB ALA A 55 -0.250 -2.853 -8.489 1.00 0.00 C ATOM 0 H ALA A 55 1.666 -3.993 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 55 0.292 -4.469 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.805 -2.311 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.939 -3.463 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.251 -2.142 -7.833 1.00 0.00 H new ATOM 844 N CYS A 56 2.684 -2.237 -9.354 1.00 0.00 N ATOM 845 CA CYS A 56 3.636 -1.384 -10.122 1.00 0.00 C ATOM 846 C CYS A 56 5.086 -1.786 -9.804 1.00 0.00 C ATOM 847 O CYS A 56 5.978 -1.570 -10.599 1.00 0.00 O ATOM 848 CB CYS A 56 3.390 0.088 -9.767 1.00 0.00 C ATOM 849 SG CYS A 56 4.135 0.472 -8.165 1.00 0.00 S ATOM 0 H CYS A 56 2.826 -2.248 -8.344 1.00 0.00 H new ATOM 0 HA CYS A 56 3.474 -1.525 -11.191 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.814 0.732 -10.538 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.319 0.289 -9.737 1.00 0.00 H new ATOM 854 N ARG A 57 5.313 -2.384 -8.655 1.00 0.00 N ATOM 855 CA ARG A 57 6.691 -2.842 -8.265 1.00 0.00 C ATOM 856 C ARG A 57 7.444 -1.764 -7.473 1.00 0.00 C ATOM 857 O ARG A 57 8.659 -1.769 -7.419 1.00 0.00 O ATOM 858 CB ARG A 57 7.502 -3.215 -9.509 1.00 0.00 C ATOM 859 CG ARG A 57 8.455 -4.362 -9.166 1.00 0.00 C ATOM 860 CD ARG A 57 8.013 -5.630 -9.897 1.00 0.00 C ATOM 861 NE ARG A 57 8.946 -6.744 -9.565 1.00 0.00 N ATOM 862 CZ ARG A 57 9.591 -7.360 -10.517 1.00 0.00 C ATOM 863 NH1 ARG A 57 8.938 -7.864 -11.527 1.00 0.00 N ATOM 864 NH2 ARG A 57 10.890 -7.476 -10.457 1.00 0.00 N ATOM 0 H ARG A 57 4.592 -2.577 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 57 6.572 -3.718 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.834 -3.512 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.066 -2.352 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.473 -4.101 -9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.461 -4.534 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.996 -5.894 -9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.003 -5.458 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 57 9.080 -7.025 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.923 -7.777 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.442 -8.346 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.401 -7.085 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.394 -7.958 -11.202 1.00 0.00 H new ATOM 878 N LYS A 58 6.753 -0.861 -6.834 1.00 0.00 N ATOM 879 CA LYS A 58 7.464 0.176 -6.029 1.00 0.00 C ATOM 880 C LYS A 58 7.675 -0.366 -4.613 1.00 0.00 C ATOM 881 O LYS A 58 7.003 -1.289 -4.201 1.00 0.00 O ATOM 882 CB LYS A 58 6.629 1.456 -5.958 1.00 0.00 C ATOM 883 CG LYS A 58 7.338 2.573 -6.725 1.00 0.00 C ATOM 884 CD LYS A 58 7.082 2.408 -8.224 1.00 0.00 C ATOM 885 CE LYS A 58 8.005 3.344 -9.005 1.00 0.00 C ATOM 886 NZ LYS A 58 7.240 4.545 -9.447 1.00 0.00 N ATOM 0 H LYS A 58 5.735 -0.795 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 58 8.421 0.406 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.640 1.281 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.483 1.750 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.977 3.545 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.409 2.544 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.258 1.374 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.040 2.633 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.847 3.645 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.419 2.825 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.869 5.181 -9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.451 4.249 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.866 5.044 -8.615 1.00 0.00 H new ATOM 900 N PRO A 59 8.605 0.221 -3.910 1.00 0.00 N ATOM 901 CA PRO A 59 8.930 -0.189 -2.533 1.00 0.00 C ATOM 902 C PRO A 59 7.879 0.338 -1.550 1.00 0.00 C ATOM 903 O PRO A 59 7.575 1.514 -1.523 1.00 0.00 O ATOM 904 CB PRO A 59 10.296 0.455 -2.282 1.00 0.00 C ATOM 905 CG PRO A 59 10.414 1.632 -3.281 1.00 0.00 C ATOM 906 CD PRO A 59 9.418 1.345 -4.418 1.00 0.00 C ATOM 0 HA PRO A 59 8.945 -1.271 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.376 0.809 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.099 -0.266 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.183 2.579 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.430 1.712 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.801 2.216 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.933 1.079 -5.341 1.00 0.00 H new ATOM 914 N TYR A 60 7.321 -0.525 -0.740 1.00 0.00 N ATOM 915 CA TYR A 60 6.292 -0.072 0.241 1.00 0.00 C ATOM 916 C TYR A 60 6.831 1.125 1.034 1.00 0.00 C ATOM 917 O TYR A 60 7.898 1.046 1.611 1.00 0.00 O ATOM 918 CB TYR A 60 5.975 -1.221 1.205 1.00 0.00 C ATOM 919 CG TYR A 60 5.155 -2.282 0.502 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.959 -2.225 -0.885 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.589 -3.326 1.244 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.199 -3.210 -1.527 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.830 -4.311 0.601 1.00 0.00 C ATOM 924 CZ TYR A 60 3.635 -4.254 -0.783 1.00 0.00 C ATOM 925 OH TYR A 60 2.887 -5.225 -1.416 1.00 0.00 O ATOM 0 H TYR A 60 7.534 -1.522 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 60 5.387 0.224 -0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.901 -1.656 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.428 -0.841 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.395 -1.420 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.738 -3.371 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.048 -3.165 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.394 -5.116 1.174 1.00 0.00 H new ATOM 0 HH TYR A 60 3.434 -5.666 -2.099 1.00 0.00 H new ATOM 935 N PRO A 61 6.081 2.205 1.045 1.00 0.00 N ATOM 936 CA PRO A 61 6.478 3.428 1.766 1.00 0.00 C ATOM 937 C PRO A 61 6.197 3.283 3.266 1.00 0.00 C ATOM 938 O PRO A 61 5.143 3.649 3.747 1.00 0.00 O ATOM 939 CB PRO A 61 5.593 4.514 1.147 1.00 0.00 C ATOM 940 CG PRO A 61 4.371 3.787 0.535 1.00 0.00 C ATOM 941 CD PRO A 61 4.780 2.313 0.346 1.00 0.00 C ATOM 0 HA PRO A 61 7.542 3.650 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.278 5.235 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.137 5.069 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.505 3.867 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.091 4.236 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.040 1.636 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.873 2.057 -0.710 1.00 0.00 H new ATOM 949 N GLU A 62 7.130 2.750 4.007 1.00 0.00 N ATOM 950 CA GLU A 62 6.913 2.583 5.473 1.00 0.00 C ATOM 951 C GLU A 62 8.259 2.651 6.201 1.00 0.00 C ATOM 952 O GLU A 62 8.449 3.446 7.100 1.00 0.00 O ATOM 953 CB GLU A 62 6.255 1.227 5.739 1.00 0.00 C ATOM 954 CG GLU A 62 5.720 1.189 7.172 1.00 0.00 C ATOM 955 CD GLU A 62 6.827 0.720 8.117 1.00 0.00 C ATOM 956 OE1 GLU A 62 7.500 -0.240 7.780 1.00 0.00 O ATOM 957 OE2 GLU A 62 6.983 1.329 9.162 1.00 0.00 O ATOM 0 H GLU A 62 8.032 2.423 3.661 1.00 0.00 H new ATOM 0 HA GLU A 62 6.264 3.379 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.442 1.061 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.978 0.425 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.370 2.178 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.865 0.516 7.234 1.00 0.00 H new ATOM 964 N ASP A 63 9.193 1.823 5.819 1.00 0.00 N ATOM 965 CA ASP A 63 10.527 1.839 6.487 1.00 0.00 C ATOM 966 C ASP A 63 10.387 1.334 7.926 1.00 0.00 C ATOM 967 O ASP A 63 10.528 2.094 8.865 1.00 0.00 O ATOM 968 CB ASP A 63 11.078 3.267 6.500 1.00 0.00 C ATOM 969 CG ASP A 63 12.543 3.244 6.944 1.00 0.00 C ATOM 970 OD1 ASP A 63 13.372 2.814 6.158 1.00 0.00 O ATOM 971 OD2 ASP A 63 12.810 3.656 8.060 1.00 0.00 O ATOM 0 H ASP A 63 9.090 1.135 5.073 1.00 0.00 H new ATOM 0 HA ASP A 63 11.211 1.191 5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.994 3.710 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.491 3.889 7.177 1.00 0.00 H new ATOM 976 N PRO A 64 10.117 0.059 8.055 1.00 0.00 N ATOM 977 CA PRO A 64 9.953 -0.589 9.368 1.00 0.00 C ATOM 978 C PRO A 64 11.321 -0.869 10.001 1.00 0.00 C ATOM 979 O PRO A 64 11.663 -0.323 11.030 1.00 0.00 O ATOM 980 CB PRO A 64 9.233 -1.898 9.034 1.00 0.00 C ATOM 981 CG PRO A 64 9.530 -2.190 7.544 1.00 0.00 C ATOM 982 CD PRO A 64 9.946 -0.852 6.905 1.00 0.00 C ATOM 0 HA PRO A 64 9.405 0.025 10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.589 -2.710 9.668 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.161 -1.806 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.325 -2.929 7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.650 -2.599 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.870 -0.953 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.185 -0.486 6.216 1.00 0.00 H new ATOM 990 N ALA A 65 12.102 -1.718 9.391 1.00 0.00 N ATOM 991 CA ALA A 65 13.444 -2.034 9.957 1.00 0.00 C ATOM 992 C ALA A 65 14.527 -1.624 8.958 1.00 0.00 C ATOM 993 O ALA A 65 14.860 -2.360 8.051 1.00 0.00 O ATOM 994 CB ALA A 65 13.544 -3.536 10.227 1.00 0.00 C ATOM 0 H ALA A 65 11.869 -2.206 8.526 1.00 0.00 H new ATOM 0 HA ALA A 65 13.582 -1.487 10.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.526 -3.767 10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.772 -3.830 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.406 -4.083 9.295 1.00 0.00 H new ATOM 1000 N VAL A 66 15.078 -0.451 9.116 1.00 0.00 N ATOM 1001 CA VAL A 66 16.139 0.008 8.175 1.00 0.00 C ATOM 1002 C VAL A 66 17.082 0.964 8.907 1.00 0.00 C ATOM 1003 O VAL A 66 17.775 1.757 8.298 1.00 0.00 O ATOM 1004 CB VAL A 66 15.491 0.730 6.993 1.00 0.00 C ATOM 1005 CG1 VAL A 66 16.426 0.670 5.783 1.00 0.00 C ATOM 1006 CG2 VAL A 66 14.165 0.047 6.647 1.00 0.00 C ATOM 0 H VAL A 66 14.839 0.209 9.856 1.00 0.00 H new ATOM 0 HA VAL A 66 16.703 -0.850 7.809 1.00 0.00 H new ATOM 0 HB VAL A 66 15.307 1.771 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.964 1.185 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 17.371 1.153 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.609 -0.371 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.701 0.560 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.350 -0.994 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.499 0.088 7.509 1.00 0.00 H new ATOM 1016 N TYR A 67 17.114 0.894 10.209 1.00 0.00 N ATOM 1017 CA TYR A 67 18.011 1.795 10.987 1.00 0.00 C ATOM 1018 C TYR A 67 19.352 1.095 11.219 1.00 0.00 C ATOM 1019 O TYR A 67 19.877 1.085 12.315 1.00 0.00 O ATOM 1020 CB TYR A 67 17.360 2.120 12.331 1.00 0.00 C ATOM 1021 CG TYR A 67 15.871 2.280 12.140 1.00 0.00 C ATOM 1022 CD1 TYR A 67 15.355 3.472 11.616 1.00 0.00 C ATOM 1023 CD2 TYR A 67 15.005 1.235 12.484 1.00 0.00 C ATOM 1024 CE1 TYR A 67 13.974 3.618 11.438 1.00 0.00 C ATOM 1025 CE2 TYR A 67 13.625 1.382 12.305 1.00 0.00 C ATOM 1026 CZ TYR A 67 13.109 2.573 11.782 1.00 0.00 C ATOM 1027 OH TYR A 67 11.748 2.717 11.606 1.00 0.00 O ATOM 0 H TYR A 67 16.556 0.250 10.770 1.00 0.00 H new ATOM 0 HA TYR A 67 18.176 2.719 10.433 1.00 0.00 H new ATOM 0 HB2 TYR A 67 17.563 1.324 13.048 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.786 3.035 12.742 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.022 4.278 11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.402 0.315 12.888 1.00 0.00 H new ATOM 0 HE1 TYR A 67 13.576 4.538 11.035 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.958 0.576 12.571 1.00 0.00 H new ATOM 0 HH TYR A 67 11.511 2.484 10.684 1.00 0.00 H new ATOM 1037 N LYS A 68 19.907 0.511 10.194 1.00 0.00 N ATOM 1038 CA LYS A 68 21.212 -0.190 10.347 1.00 0.00 C ATOM 1039 C LYS A 68 21.610 -0.807 9.003 1.00 0.00 C ATOM 1040 O LYS A 68 21.563 -2.010 8.837 1.00 0.00 O ATOM 1041 CB LYS A 68 21.079 -1.296 11.396 1.00 0.00 C ATOM 1042 CG LYS A 68 22.471 -1.755 11.835 1.00 0.00 C ATOM 1043 CD LYS A 68 23.104 -0.683 12.725 1.00 0.00 C ATOM 1044 CE LYS A 68 23.778 -1.349 13.927 1.00 0.00 C ATOM 1045 NZ LYS A 68 24.942 -2.155 13.461 1.00 0.00 N ATOM 0 H LYS A 68 19.512 0.489 9.254 1.00 0.00 H new ATOM 0 HA LYS A 68 21.975 0.520 10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.517 -0.930 12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 68 20.521 -2.137 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 68 22.401 -2.698 12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 68 23.098 -1.935 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 68 23.836 -0.109 12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 68 22.342 0.019 13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 68 24.108 -0.592 14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 68 23.066 -1.988 14.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 25.328 -2.701 14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 24.635 -2.807 12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 25.677 -1.520 13.088 1.00 0.00 H new ATOM 1059 N PRO A 69 21.984 0.043 8.080 1.00 0.00 N ATOM 1060 CA PRO A 69 22.391 -0.380 6.729 1.00 0.00 C ATOM 1061 C PRO A 69 23.820 -0.928 6.747 1.00 0.00 C ATOM 1062 O PRO A 69 24.684 -0.415 7.428 1.00 0.00 O ATOM 1063 CB PRO A 69 22.311 0.911 5.911 1.00 0.00 C ATOM 1064 CG PRO A 69 22.421 2.078 6.922 1.00 0.00 C ATOM 1065 CD PRO A 69 22.037 1.503 8.299 1.00 0.00 C ATOM 0 HA PRO A 69 21.767 -1.176 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 69 23.116 0.956 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.373 0.963 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 69 23.433 2.482 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 69 21.756 2.896 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 69 22.773 1.765 9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 69 21.076 1.890 8.638 1.00 0.00 H new ATOM 1073 N LEU A 70 24.074 -1.969 6.002 1.00 0.00 N ATOM 1074 CA LEU A 70 25.445 -2.549 5.977 1.00 0.00 C ATOM 1075 C LEU A 70 25.799 -3.087 7.364 1.00 0.00 C ATOM 1076 O LEU A 70 26.179 -2.347 8.249 1.00 0.00 O ATOM 1077 CB LEU A 70 26.448 -1.466 5.578 1.00 0.00 C ATOM 1078 CG LEU A 70 27.222 -1.922 4.340 1.00 0.00 C ATOM 1079 CD1 LEU A 70 28.084 -3.134 4.696 1.00 0.00 C ATOM 1080 CD2 LEU A 70 26.236 -2.305 3.235 1.00 0.00 C ATOM 0 H LEU A 70 23.391 -2.442 5.410 1.00 0.00 H new ATOM 0 HA LEU A 70 25.481 -3.363 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.927 -0.531 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.137 -1.272 6.400 1.00 0.00 H new ATOM 0 HG LEU A 70 27.861 -1.111 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 70 28.636 -3.460 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 70 28.786 -2.862 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 70 27.445 -3.945 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.787 -2.630 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 70 25.597 -3.116 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 70 25.621 -1.442 2.981 1.00 0.00 H new ATOM 1092 N SER A 71 25.680 -4.371 7.560 1.00 0.00 N ATOM 1093 CA SER A 71 26.010 -4.956 8.889 1.00 0.00 C ATOM 1094 C SER A 71 26.199 -6.467 8.750 1.00 0.00 C ATOM 1095 O SER A 71 25.422 -7.249 9.263 1.00 0.00 O ATOM 1096 CB SER A 71 24.872 -4.671 9.870 1.00 0.00 C ATOM 1097 OG SER A 71 25.381 -3.947 10.983 1.00 0.00 O ATOM 0 H SER A 71 25.368 -5.041 6.856 1.00 0.00 H new ATOM 0 HA SER A 71 26.931 -4.509 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.087 -4.098 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.422 -5.606 10.205 1.00 0.00 H new ATOM 0 HG SER A 71 25.849 -3.146 10.666 1.00 0.00 H new ATOM 1103 N GLN A 72 27.226 -6.886 8.061 1.00 0.00 N ATOM 1104 CA GLN A 72 27.460 -8.348 7.893 1.00 0.00 C ATOM 1105 C GLN A 72 28.665 -8.572 6.977 1.00 0.00 C ATOM 1106 O GLN A 72 29.513 -9.399 7.245 1.00 0.00 O ATOM 1107 CB GLN A 72 26.220 -8.993 7.273 1.00 0.00 C ATOM 1108 CG GLN A 72 25.948 -10.338 7.952 1.00 0.00 C ATOM 1109 CD GLN A 72 26.697 -11.446 7.210 1.00 0.00 C ATOM 1110 OE1 GLN A 72 27.861 -11.686 7.465 1.00 0.00 O ATOM 1111 NE2 GLN A 72 26.075 -12.139 6.294 1.00 0.00 N ATOM 0 H GLN A 72 27.911 -6.281 7.609 1.00 0.00 H new ATOM 0 HA GLN A 72 27.657 -8.799 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 72 25.359 -8.335 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 72 26.369 -9.138 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 72 26.268 -10.303 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 72 24.878 -10.546 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.098 -11.939 6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.566 -12.880 5.794 1.00 0.00 H new ATOM 1120 N GLU A 73 28.746 -7.848 5.893 1.00 0.00 N ATOM 1121 CA GLU A 73 29.897 -8.031 4.963 1.00 0.00 C ATOM 1122 C GLU A 73 30.070 -6.779 4.101 1.00 0.00 C ATOM 1123 O GLU A 73 29.113 -6.119 3.749 1.00 0.00 O ATOM 1124 CB GLU A 73 29.629 -9.234 4.058 1.00 0.00 C ATOM 1125 CG GLU A 73 30.147 -10.508 4.729 1.00 0.00 C ATOM 1126 CD GLU A 73 30.573 -11.511 3.657 1.00 0.00 C ATOM 1127 OE1 GLU A 73 29.862 -11.635 2.674 1.00 0.00 O ATOM 1128 OE2 GLU A 73 31.604 -12.138 3.837 1.00 0.00 O ATOM 0 H GLU A 73 28.067 -7.140 5.612 1.00 0.00 H new ATOM 0 HA GLU A 73 30.805 -8.199 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 73 28.561 -9.323 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 30.119 -9.093 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.991 -10.273 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.371 -10.941 5.360 1.00 0.00 H new ATOM 1135 N GLU A 74 31.284 -6.453 3.750 1.00 0.00 N ATOM 1136 CA GLU A 74 31.519 -5.249 2.904 1.00 0.00 C ATOM 1137 C GLU A 74 31.215 -5.593 1.444 1.00 0.00 C ATOM 1138 O GLU A 74 30.838 -6.704 1.126 1.00 0.00 O ATOM 1139 CB GLU A 74 32.979 -4.811 3.033 1.00 0.00 C ATOM 1140 CG GLU A 74 33.058 -3.283 3.027 1.00 0.00 C ATOM 1141 CD GLU A 74 32.933 -2.760 4.459 1.00 0.00 C ATOM 1142 OE1 GLU A 74 33.803 -3.065 5.258 1.00 0.00 O ATOM 1143 OE2 GLU A 74 31.969 -2.064 4.732 1.00 0.00 O ATOM 0 H GLU A 74 32.124 -6.969 4.013 1.00 0.00 H new ATOM 0 HA GLU A 74 30.869 -4.438 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 74 33.407 -5.204 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 74 33.566 -5.219 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 74 34.003 -2.959 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 32.263 -2.870 2.407 1.00 0.00 H new ATOM 1150 N LEU A 75 31.373 -4.654 0.553 1.00 0.00 N ATOM 1151 CA LEU A 75 31.088 -4.938 -0.882 1.00 0.00 C ATOM 1152 C LEU A 75 32.317 -4.600 -1.729 1.00 0.00 C ATOM 1153 O LEU A 75 33.104 -3.740 -1.386 1.00 0.00 O ATOM 1154 CB LEU A 75 29.900 -4.092 -1.343 1.00 0.00 C ATOM 1155 CG LEU A 75 30.232 -2.609 -1.174 1.00 0.00 C ATOM 1156 CD1 LEU A 75 30.291 -1.940 -2.547 1.00 0.00 C ATOM 1157 CD2 LEU A 75 29.148 -1.936 -0.328 1.00 0.00 C ATOM 0 H LEU A 75 31.686 -3.705 0.755 1.00 0.00 H new ATOM 0 HA LEU A 75 30.850 -5.995 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 75 29.670 -4.307 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 75 29.013 -4.345 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 75 31.197 -2.508 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 75 30.528 -0.883 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 75 31.062 -2.418 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 29.326 -2.042 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 75 29.385 -0.879 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 75 28.183 -2.038 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 75 29.103 -2.412 0.652 1.00 0.00 H new ATOM 1169 N GLN A 76 32.485 -5.272 -2.836 1.00 0.00 N ATOM 1170 CA GLN A 76 33.659 -4.993 -3.711 1.00 0.00 C ATOM 1171 C GLN A 76 33.367 -5.506 -5.124 1.00 0.00 C ATOM 1172 O GLN A 76 34.264 -5.835 -5.874 1.00 0.00 O ATOM 1173 CB GLN A 76 34.892 -5.705 -3.153 1.00 0.00 C ATOM 1174 CG GLN A 76 34.540 -7.158 -2.833 1.00 0.00 C ATOM 1175 CD GLN A 76 35.153 -7.548 -1.487 1.00 0.00 C ATOM 1176 OE1 GLN A 76 34.539 -8.248 -0.706 1.00 0.00 O ATOM 1177 NE2 GLN A 76 36.347 -7.120 -1.179 1.00 0.00 N ATOM 0 H GLN A 76 31.859 -6.003 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 76 33.846 -3.920 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 76 35.706 -5.668 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 76 35.242 -5.198 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 76 33.458 -7.282 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 76 34.913 -7.815 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 76 36.863 -6.532 -1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 76 36.764 -7.373 -0.283 1.00 0.00 H new ATOM 1186 N ARG A 77 32.115 -5.576 -5.487 1.00 0.00 N ATOM 1187 CA ARG A 77 31.756 -6.069 -6.847 1.00 0.00 C ATOM 1188 C ARG A 77 30.277 -5.782 -7.108 1.00 0.00 C ATOM 1189 O ARG A 77 29.491 -6.681 -7.335 1.00 0.00 O ATOM 1190 CB ARG A 77 32.007 -7.576 -6.927 1.00 0.00 C ATOM 1191 CG ARG A 77 32.727 -7.905 -8.237 1.00 0.00 C ATOM 1192 CD ARG A 77 32.138 -9.182 -8.840 1.00 0.00 C ATOM 1193 NE ARG A 77 32.306 -10.308 -7.878 1.00 0.00 N ATOM 1194 CZ ARG A 77 33.460 -10.908 -7.771 1.00 0.00 C ATOM 1195 NH1 ARG A 77 34.032 -11.418 -8.827 1.00 0.00 N ATOM 1196 NH2 ARG A 77 34.041 -10.998 -6.606 1.00 0.00 N ATOM 0 H ARG A 77 31.324 -5.313 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 77 32.366 -5.563 -7.595 1.00 0.00 H new ATOM 0 HB2 ARG A 77 32.608 -7.901 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 77 31.062 -8.116 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 77 32.622 -7.078 -8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 77 33.794 -8.035 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.082 -9.037 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.636 -9.416 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 77 31.519 -10.610 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.577 -11.348 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 77 34.934 -11.887 -8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 77 33.593 -10.600 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 77 34.943 -11.467 -6.521 1.00 0.00 H new ATOM 1210 N ILE A 78 29.890 -4.537 -7.075 1.00 0.00 N ATOM 1211 CA ILE A 78 28.461 -4.191 -7.316 1.00 0.00 C ATOM 1212 C ILE A 78 28.266 -2.684 -7.130 1.00 0.00 C ATOM 1213 O ILE A 78 27.790 -2.050 -8.057 1.00 0.00 O ATOM 1214 CB ILE A 78 27.579 -4.952 -6.322 1.00 0.00 C ATOM 1215 CG1 ILE A 78 26.172 -4.346 -6.309 1.00 0.00 C ATOM 1216 CG2 ILE A 78 28.187 -4.850 -4.921 1.00 0.00 C ATOM 1217 CD1 ILE A 78 25.299 -5.102 -5.305 1.00 0.00 C ATOM 1218 OXT ILE A 78 28.598 -2.192 -6.064 1.00 0.00 O ATOM 0 H ILE A 78 30.503 -3.743 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 78 28.182 -4.469 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 78 27.519 -5.998 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 78 26.222 -3.291 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 78 25.731 -4.402 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 78 27.560 -5.391 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 78 29.187 -5.284 -4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 78 28.247 -3.802 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 78 24.298 -4.671 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 78 25.239 -6.152 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 78 25.737 -5.023 -4.310 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.247 -7.990 1.772 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.494 0.202 -6.571 1.00 0.00 ZN