USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HE2:sc= 0.385 K(o=0.32,f=-5.1!) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.0678 X(o=0.32,f=0.38) USER MOD Set 2.1: A 31 CYS SG : rot -120:sc= 2.25 USER MOD Set 2.2: A 40 HIS : no HE2:sc= 2.67 K(o=9.4,f=-9!) USER MOD Set 2.3: A 56 CYS SG : rot -161:sc= 1.36 USER MOD Set 2.4: A 59 CYS SG : rot -118:sc= 1.83 USER MOD Set 2.5: A 63 TYR OH : rot 21:sc= 1.34 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 146:sc= 1.32 (180deg=1.11) USER MOD Set 3.2: A 78 HIS : no HD1:sc= -0.1 K(o=1.2,f=0.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0206 (180deg=-0.0635) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 9 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 11 SER OG : rot 170:sc= -0.0761 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 53:sc= 0.837 USER MOD Single : A 25 SER OG : rot 94:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot 117:sc= 0.675 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 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0.832 K(o=0.83,f=-6.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.874 -19.260 13.408 1.00 0.00 N ATOM 2 CA MET A 1 -27.215 -18.606 12.257 1.00 0.00 C ATOM 3 C MET A 1 -27.164 -17.100 12.467 1.00 0.00 C ATOM 4 O MET A 1 -28.070 -16.521 13.065 1.00 0.00 O ATOM 5 CB MET A 1 -27.969 -18.906 10.954 1.00 0.00 C ATOM 6 CG MET A 1 -27.915 -20.363 10.531 1.00 0.00 C ATOM 7 SD MET A 1 -28.855 -20.677 9.026 1.00 0.00 S ATOM 8 CE MET A 1 -28.609 -22.442 8.848 1.00 0.00 C ATOM 0 H1 MET A 1 -27.208 -19.917 13.862 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.170 -18.538 14.095 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.708 -19.786 13.078 1.00 0.00 H new ATOM 0 HA MET A 1 -26.202 -19.001 12.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.012 -18.611 11.073 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.553 -18.291 10.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.876 -20.655 10.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.304 -20.987 11.336 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.130 -22.794 7.958 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.544 -22.653 8.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.003 -22.955 9.726 1.00 0.00 H new ATOM 20 N ARG A 2 -26.110 -16.467 11.971 1.00 0.00 N ATOM 21 CA ARG A 2 -25.994 -15.016 12.038 1.00 0.00 C ATOM 22 C ARG A 2 -26.000 -14.411 10.639 1.00 0.00 C ATOM 23 O ARG A 2 -24.998 -14.454 9.924 1.00 0.00 O ATOM 24 CB ARG A 2 -24.753 -14.572 12.840 1.00 0.00 C ATOM 25 CG ARG A 2 -23.595 -15.568 12.878 1.00 0.00 C ATOM 26 CD ARG A 2 -22.782 -15.595 11.590 1.00 0.00 C ATOM 27 NE ARG A 2 -21.582 -16.423 11.730 1.00 0.00 N ATOM 28 CZ ARG A 2 -21.191 -17.338 10.842 1.00 0.00 C ATOM 29 NH1 ARG A 2 -21.862 -17.504 9.708 1.00 0.00 N ATOM 30 NH2 ARG A 2 -20.106 -18.065 11.072 1.00 0.00 N ATOM 0 H ARG A 2 -25.324 -16.934 11.519 1.00 0.00 H new ATOM 0 HA ARG A 2 -26.865 -14.640 12.575 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -24.388 -13.635 12.419 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -25.061 -14.363 13.864 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -22.937 -15.318 13.710 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -23.989 -16.566 13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -23.398 -15.980 10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -22.495 -14.579 11.318 1.00 0.00 H new ATOM 0 HE ARG A 2 -21.007 -16.291 12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -22.682 -16.930 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.557 -18.206 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.570 -17.925 11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -19.807 -18.765 10.393 1.00 0.00 H new ATOM 44 N ARG A 3 -27.153 -13.884 10.243 1.00 0.00 N ATOM 45 CA ARG A 3 -27.315 -13.263 8.937 1.00 0.00 C ATOM 46 C ARG A 3 -28.518 -12.321 8.912 1.00 0.00 C ATOM 47 O ARG A 3 -29.655 -12.736 9.129 1.00 0.00 O ATOM 48 CB ARG A 3 -27.461 -14.322 7.837 1.00 0.00 C ATOM 49 CG ARG A 3 -28.488 -15.405 8.143 1.00 0.00 C ATOM 50 CD ARG A 3 -28.909 -16.143 6.884 1.00 0.00 C ATOM 51 NE ARG A 3 -27.765 -16.507 6.046 1.00 0.00 N ATOM 52 CZ ARG A 3 -27.825 -17.366 5.029 1.00 0.00 C ATOM 53 NH1 ARG A 3 -28.952 -18.012 4.753 1.00 0.00 N ATOM 54 NH2 ARG A 3 -26.760 -17.587 4.273 1.00 0.00 N ATOM 0 H ARG A 3 -27.997 -13.876 10.816 1.00 0.00 H new ATOM 0 HA ARG A 3 -26.415 -12.679 8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -27.738 -13.827 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -26.492 -14.793 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -28.070 -16.113 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -29.363 -14.956 8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -29.456 -17.044 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -29.593 -15.518 6.310 1.00 0.00 H new ATOM 0 HE ARG A 3 -26.864 -16.075 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -29.783 -17.853 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -28.986 -18.667 3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -25.886 -17.098 4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -26.814 -18.246 3.496 1.00 0.00 H new ATOM 68 N GLN A 4 -28.246 -11.046 8.665 1.00 0.00 N ATOM 69 CA GLN A 4 -29.291 -10.048 8.481 1.00 0.00 C ATOM 70 C GLN A 4 -28.776 -8.944 7.560 1.00 0.00 C ATOM 71 O GLN A 4 -27.986 -8.093 7.973 1.00 0.00 O ATOM 72 CB GLN A 4 -29.743 -9.470 9.826 1.00 0.00 C ATOM 73 CG GLN A 4 -30.899 -8.487 9.705 1.00 0.00 C ATOM 74 CD GLN A 4 -31.423 -8.025 11.050 1.00 0.00 C ATOM 75 OE1 GLN A 4 -30.950 -7.035 11.611 1.00 0.00 O ATOM 76 NE2 GLN A 4 -32.409 -8.736 11.572 1.00 0.00 N ATOM 0 H GLN A 4 -27.299 -10.676 8.587 1.00 0.00 H new ATOM 0 HA GLN A 4 -30.159 -10.522 8.023 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -30.039 -10.288 10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -28.899 -8.970 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -30.573 -7.620 9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -31.710 -8.954 9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -32.771 -9.549 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -32.807 -8.471 12.473 1.00 0.00 H new ATOM 85 N PRO A 5 -29.184 -8.975 6.287 1.00 0.00 N ATOM 86 CA PRO A 5 -28.675 -8.068 5.268 1.00 0.00 C ATOM 87 C PRO A 5 -29.481 -6.776 5.125 1.00 0.00 C ATOM 88 O PRO A 5 -30.676 -6.726 5.423 1.00 0.00 O ATOM 89 CB PRO A 5 -28.792 -8.912 4.004 1.00 0.00 C ATOM 90 CG PRO A 5 -29.990 -9.780 4.232 1.00 0.00 C ATOM 91 CD PRO A 5 -30.168 -9.916 5.728 1.00 0.00 C ATOM 0 HA PRO A 5 -27.670 -7.718 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -28.920 -8.286 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -27.895 -9.510 3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -30.877 -9.338 3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -29.850 -10.758 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -31.183 -9.662 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -29.980 -10.936 6.062 1.00 0.00 H new ATOM 99 N LYS A 6 -28.801 -5.734 4.671 1.00 0.00 N ATOM 100 CA LYS A 6 -29.433 -4.456 4.367 1.00 0.00 C ATOM 101 C LYS A 6 -29.316 -4.188 2.864 1.00 0.00 C ATOM 102 O LYS A 6 -29.620 -3.100 2.373 1.00 0.00 O ATOM 103 CB LYS A 6 -28.747 -3.340 5.174 1.00 0.00 C ATOM 104 CG LYS A 6 -29.380 -1.963 5.018 1.00 0.00 C ATOM 105 CD LYS A 6 -28.538 -0.877 5.676 1.00 0.00 C ATOM 106 CE LYS A 6 -27.139 -0.812 5.078 1.00 0.00 C ATOM 107 NZ LYS A 6 -26.284 0.194 5.760 1.00 0.00 N ATOM 0 H LYS A 6 -27.795 -5.749 4.502 1.00 0.00 H new ATOM 0 HA LYS A 6 -30.488 -4.482 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -28.759 -3.613 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -27.702 -3.281 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -29.502 -1.737 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -30.376 -1.969 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -29.030 0.088 5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -28.468 -1.069 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.670 -1.793 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.210 -0.568 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.300 -0.141 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -26.334 1.097 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -26.619 0.331 6.735 1.00 0.00 H new ATOM 121 N THR A 7 -28.882 -5.205 2.135 1.00 0.00 N ATOM 122 CA THR A 7 -28.585 -5.065 0.723 1.00 0.00 C ATOM 123 C THR A 7 -29.839 -5.116 -0.149 1.00 0.00 C ATOM 124 O THR A 7 -30.235 -6.174 -0.631 1.00 0.00 O ATOM 125 CB THR A 7 -27.584 -6.147 0.272 1.00 0.00 C ATOM 126 OG1 THR A 7 -27.883 -7.395 0.917 1.00 0.00 O ATOM 127 CG2 THR A 7 -26.158 -5.736 0.602 1.00 0.00 C ATOM 0 H THR A 7 -28.728 -6.143 2.505 1.00 0.00 H new ATOM 0 HA THR A 7 -28.139 -4.079 0.592 1.00 0.00 H new ATOM 0 HB THR A 7 -27.675 -6.263 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 7 -27.243 -8.077 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 7 -25.470 -6.515 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 7 -25.920 -4.803 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 7 -26.060 -5.594 1.678 1.00 0.00 H new ATOM 135 N ARG A 8 -30.474 -3.964 -0.311 1.00 0.00 N ATOM 136 CA ARG A 8 -31.559 -3.811 -1.265 1.00 0.00 C ATOM 137 C ARG A 8 -31.319 -2.568 -2.108 1.00 0.00 C ATOM 138 O ARG A 8 -31.379 -1.446 -1.602 1.00 0.00 O ATOM 139 CB ARG A 8 -32.919 -3.702 -0.568 1.00 0.00 C ATOM 140 CG ARG A 8 -34.069 -3.518 -1.548 1.00 0.00 C ATOM 141 CD ARG A 8 -35.399 -3.271 -0.855 1.00 0.00 C ATOM 142 NE ARG A 8 -36.467 -3.057 -1.832 1.00 0.00 N ATOM 143 CZ ARG A 8 -37.770 -3.095 -1.554 1.00 0.00 C ATOM 144 NH1 ARG A 8 -38.191 -3.265 -0.308 1.00 0.00 N ATOM 145 NH2 ARG A 8 -38.658 -2.949 -2.528 1.00 0.00 N ATOM 0 H ARG A 8 -30.253 -3.116 0.211 1.00 0.00 H new ATOM 0 HA ARG A 8 -31.578 -4.699 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -33.092 -4.601 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -32.901 -2.862 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -33.847 -2.680 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -34.151 -4.405 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -35.646 -4.122 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -35.318 -2.401 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 8 -36.195 -2.865 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -37.515 -3.368 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -39.191 -3.292 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -38.343 -2.808 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -39.656 -2.978 -2.317 1.00 0.00 H new ATOM 159 N GLN A 9 -31.040 -2.764 -3.385 1.00 0.00 N ATOM 160 CA GLN A 9 -30.761 -1.644 -4.269 1.00 0.00 C ATOM 161 C GLN A 9 -31.863 -1.486 -5.310 1.00 0.00 C ATOM 162 O GLN A 9 -32.093 -2.368 -6.139 1.00 0.00 O ATOM 163 CB GLN A 9 -29.389 -1.806 -4.939 1.00 0.00 C ATOM 164 CG GLN A 9 -29.239 -3.079 -5.756 1.00 0.00 C ATOM 165 CD GLN A 9 -27.850 -3.227 -6.347 1.00 0.00 C ATOM 166 OE1 GLN A 9 -26.964 -3.819 -5.728 1.00 0.00 O ATOM 167 NE2 GLN A 9 -27.644 -2.692 -7.541 1.00 0.00 N ATOM 0 H GLN A 9 -31.001 -3.680 -3.831 1.00 0.00 H new ATOM 0 HA GLN A 9 -30.736 -0.735 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -29.211 -0.948 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -28.617 -1.789 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.456 -3.940 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -29.975 -3.080 -6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -28.403 -2.210 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -26.726 -2.762 -7.980 1.00 0.00 H new ATOM 176 N GLU A 10 -32.549 -0.358 -5.252 1.00 0.00 N ATOM 177 CA GLU A 10 -33.620 -0.060 -6.196 1.00 0.00 C ATOM 178 C GLU A 10 -33.071 0.659 -7.424 1.00 0.00 C ATOM 179 O GLU A 10 -33.780 1.409 -8.096 1.00 0.00 O ATOM 180 CB GLU A 10 -34.702 0.786 -5.521 1.00 0.00 C ATOM 181 CG GLU A 10 -35.422 0.062 -4.391 1.00 0.00 C ATOM 182 CD GLU A 10 -36.041 -1.244 -4.840 1.00 0.00 C ATOM 183 OE1 GLU A 10 -36.862 -1.227 -5.780 1.00 0.00 O ATOM 184 OE2 GLU A 10 -35.703 -2.299 -4.268 1.00 0.00 O ATOM 0 H GLU A 10 -32.385 0.372 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 10 -34.064 -1.001 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -34.248 1.696 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -35.433 1.092 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -34.718 -0.133 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -36.200 0.709 -3.987 1.00 0.00 H new ATOM 191 N SER A 11 -31.805 0.411 -7.711 1.00 0.00 N ATOM 192 CA SER A 11 -31.154 0.975 -8.876 1.00 0.00 C ATOM 193 C SER A 11 -30.241 -0.076 -9.502 1.00 0.00 C ATOM 194 O SER A 11 -29.289 -0.541 -8.868 1.00 0.00 O ATOM 195 CB SER A 11 -30.355 2.226 -8.489 1.00 0.00 C ATOM 196 OG SER A 11 -29.813 2.868 -9.635 1.00 0.00 O ATOM 0 H SER A 11 -31.203 -0.185 -7.144 1.00 0.00 H new ATOM 0 HA SER A 11 -31.909 1.271 -9.605 1.00 0.00 H new ATOM 0 HB2 SER A 11 -31.001 2.921 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 11 -29.549 1.949 -7.809 1.00 0.00 H new ATOM 0 HG SER A 11 -29.449 3.741 -9.379 1.00 0.00 H new ATOM 202 N ALA A 12 -30.556 -0.480 -10.727 1.00 0.00 N ATOM 203 CA ALA A 12 -29.772 -1.490 -11.425 1.00 0.00 C ATOM 204 C ALA A 12 -28.526 -0.876 -12.048 1.00 0.00 C ATOM 205 O ALA A 12 -27.448 -1.475 -12.032 1.00 0.00 O ATOM 206 CB ALA A 12 -30.618 -2.170 -12.490 1.00 0.00 C ATOM 0 H ALA A 12 -31.350 -0.123 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 12 -29.454 -2.238 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -30.020 -2.922 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -31.478 -2.648 -12.021 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -30.963 -1.427 -13.209 1.00 0.00 H new ATOM 212 N ARG A 13 -28.678 0.322 -12.599 1.00 0.00 N ATOM 213 CA ARG A 13 -27.563 1.019 -13.213 1.00 0.00 C ATOM 214 C ARG A 13 -27.042 2.111 -12.288 1.00 0.00 C ATOM 215 O ARG A 13 -27.530 3.243 -12.298 1.00 0.00 O ATOM 216 CB ARG A 13 -27.954 1.612 -14.567 1.00 0.00 C ATOM 217 CG ARG A 13 -28.253 0.565 -15.632 1.00 0.00 C ATOM 218 CD ARG A 13 -28.143 1.161 -17.026 1.00 0.00 C ATOM 219 NE ARG A 13 -26.851 1.816 -17.216 1.00 0.00 N ATOM 220 CZ ARG A 13 -25.834 1.288 -17.894 1.00 0.00 C ATOM 221 NH1 ARG A 13 -25.998 0.164 -18.585 1.00 0.00 N ATOM 222 NH2 ARG A 13 -24.666 1.918 -17.911 1.00 0.00 N ATOM 0 H ARG A 13 -29.563 0.828 -12.631 1.00 0.00 H new ATOM 0 HA ARG A 13 -26.769 0.292 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -28.832 2.245 -14.436 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -27.147 2.255 -14.919 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -27.558 -0.269 -15.533 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -29.255 0.164 -15.482 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -28.270 0.376 -17.772 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -28.946 1.881 -17.182 1.00 0.00 H new ATOM 0 HE ARG A 13 -26.719 2.739 -16.802 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -26.907 -0.299 -18.598 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.215 -0.235 -19.102 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.554 2.798 -17.408 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.880 1.522 -18.427 1.00 0.00 H new ATOM 236 N MET A 14 -26.060 1.753 -11.475 1.00 0.00 N ATOM 237 CA MET A 14 -25.462 2.689 -10.533 1.00 0.00 C ATOM 238 C MET A 14 -24.080 2.201 -10.116 1.00 0.00 C ATOM 239 O MET A 14 -23.139 2.982 -10.000 1.00 0.00 O ATOM 240 CB MET A 14 -26.355 2.866 -9.300 1.00 0.00 C ATOM 241 CG MET A 14 -25.821 3.886 -8.309 1.00 0.00 C ATOM 242 SD MET A 14 -26.903 4.105 -6.885 1.00 0.00 S ATOM 243 CE MET A 14 -25.997 5.337 -5.954 1.00 0.00 C ATOM 0 H MET A 14 -25.658 0.816 -11.448 1.00 0.00 H new ATOM 0 HA MET A 14 -25.363 3.656 -11.025 1.00 0.00 H new ATOM 0 HB2 MET A 14 -27.351 3.171 -9.623 1.00 0.00 H new ATOM 0 HB3 MET A 14 -26.463 1.905 -8.798 1.00 0.00 H new ATOM 0 HG2 MET A 14 -24.835 3.572 -7.966 1.00 0.00 H new ATOM 0 HG3 MET A 14 -25.693 4.844 -8.813 1.00 0.00 H new ATOM 0 HE1 MET A 14 -26.542 5.577 -5.041 1.00 0.00 H new ATOM 0 HE2 MET A 14 -25.012 4.947 -5.696 1.00 0.00 H new ATOM 0 HE3 MET A 14 -25.884 6.238 -6.557 1.00 0.00 H new ATOM 253 N SER A 15 -23.965 0.899 -9.897 1.00 0.00 N ATOM 254 CA SER A 15 -22.696 0.302 -9.530 1.00 0.00 C ATOM 255 C SER A 15 -22.204 -0.602 -10.657 1.00 0.00 C ATOM 256 O SER A 15 -22.994 -1.309 -11.291 1.00 0.00 O ATOM 257 CB SER A 15 -22.836 -0.486 -8.224 1.00 0.00 C ATOM 258 OG SER A 15 -21.578 -0.915 -7.746 1.00 0.00 O ATOM 0 H SER A 15 -24.738 0.238 -9.968 1.00 0.00 H new ATOM 0 HA SER A 15 -21.963 1.093 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 15 -23.320 0.136 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 15 -23.480 -1.350 -8.386 1.00 0.00 H new ATOM 0 HG SER A 15 -21.698 -1.414 -6.911 1.00 0.00 H new ATOM 264 N ILE A 16 -20.906 -0.563 -10.908 1.00 0.00 N ATOM 265 CA ILE A 16 -20.300 -1.335 -11.984 1.00 0.00 C ATOM 266 C ILE A 16 -19.458 -2.460 -11.381 1.00 0.00 C ATOM 267 O ILE A 16 -19.331 -2.547 -10.159 1.00 0.00 O ATOM 268 CB ILE A 16 -19.411 -0.429 -12.881 1.00 0.00 C ATOM 269 CG1 ILE A 16 -20.014 0.976 -12.990 1.00 0.00 C ATOM 270 CG2 ILE A 16 -19.252 -1.032 -14.275 1.00 0.00 C ATOM 271 CD1 ILE A 16 -19.157 1.952 -13.769 1.00 0.00 C ATOM 0 H ILE A 16 -20.244 0.001 -10.375 1.00 0.00 H new ATOM 0 HA ILE A 16 -21.090 -1.757 -12.606 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.427 -0.359 -12.416 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.992 0.905 -13.467 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -20.176 1.370 -11.987 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -18.626 -0.380 -14.884 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.785 -2.013 -14.196 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.232 -1.133 -14.741 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -19.650 2.923 -13.802 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -18.187 2.054 -13.282 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -19.016 1.582 -14.784 1.00 0.00 H new ATOM 283 N GLU A 17 -18.910 -3.321 -12.233 1.00 0.00 N ATOM 284 CA GLU A 17 -18.026 -4.393 -11.791 1.00 0.00 C ATOM 285 C GLU A 17 -16.857 -3.821 -10.997 1.00 0.00 C ATOM 286 O GLU A 17 -16.228 -2.845 -11.423 1.00 0.00 O ATOM 287 CB GLU A 17 -17.502 -5.177 -12.999 1.00 0.00 C ATOM 288 CG GLU A 17 -18.603 -5.726 -13.897 1.00 0.00 C ATOM 289 CD GLU A 17 -19.516 -6.703 -13.184 1.00 0.00 C ATOM 290 OE1 GLU A 17 -19.188 -7.910 -13.149 1.00 0.00 O ATOM 291 OE2 GLU A 17 -20.564 -6.274 -12.662 1.00 0.00 O ATOM 0 H GLU A 17 -19.065 -3.296 -13.241 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.592 -5.067 -11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.854 -4.528 -13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.888 -6.005 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.197 -4.897 -14.283 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.151 -6.221 -14.756 1.00 0.00 H new ATOM 298 N ALA A 18 -16.585 -4.427 -9.845 1.00 0.00 N ATOM 299 CA ALA A 18 -15.522 -3.968 -8.953 1.00 0.00 C ATOM 300 C ALA A 18 -14.193 -3.839 -9.689 1.00 0.00 C ATOM 301 O ALA A 18 -13.692 -4.813 -10.256 1.00 0.00 O ATOM 302 CB ALA A 18 -15.378 -4.915 -7.772 1.00 0.00 C ATOM 0 H ALA A 18 -17.091 -5.245 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.799 -2.980 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.583 -4.561 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.316 -4.951 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.132 -5.913 -8.134 1.00 0.00 H new ATOM 308 N PRO A 19 -13.621 -2.626 -9.710 1.00 0.00 N ATOM 309 CA PRO A 19 -12.373 -2.355 -10.417 1.00 0.00 C ATOM 310 C PRO A 19 -11.134 -2.712 -9.598 1.00 0.00 C ATOM 311 O PRO A 19 -11.229 -3.152 -8.451 1.00 0.00 O ATOM 312 CB PRO A 19 -12.443 -0.849 -10.653 1.00 0.00 C ATOM 313 CG PRO A 19 -13.207 -0.320 -9.485 1.00 0.00 C ATOM 314 CD PRO A 19 -14.158 -1.413 -9.055 1.00 0.00 C ATOM 0 HA PRO A 19 -12.279 -2.950 -11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.447 -0.410 -10.707 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.945 -0.618 -11.593 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.533 -0.052 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.753 0.583 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.180 -1.520 -7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.179 -1.204 -9.375 1.00 0.00 H new ATOM 322 N GLU A 20 -9.970 -2.484 -10.191 1.00 0.00 N ATOM 323 CA GLU A 20 -8.697 -2.796 -9.559 1.00 0.00 C ATOM 324 C GLU A 20 -8.081 -1.550 -8.948 1.00 0.00 C ATOM 325 O GLU A 20 -6.888 -1.498 -8.646 1.00 0.00 O ATOM 326 CB GLU A 20 -7.733 -3.429 -10.569 1.00 0.00 C ATOM 327 CG GLU A 20 -7.916 -2.938 -12.004 1.00 0.00 C ATOM 328 CD GLU A 20 -7.814 -1.431 -12.155 1.00 0.00 C ATOM 329 OE1 GLU A 20 -8.817 -0.730 -11.892 1.00 0.00 O ATOM 330 OE2 GLU A 20 -6.742 -0.941 -12.558 1.00 0.00 O ATOM 0 H GLU A 20 -9.882 -2.078 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.882 -3.515 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.710 -3.224 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.862 -4.511 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.164 -3.409 -12.638 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.890 -3.265 -12.368 1.00 0.00 H new ATOM 337 N THR A 21 -8.936 -0.583 -8.732 1.00 0.00 N ATOM 338 CA THR A 21 -8.536 0.720 -8.242 1.00 0.00 C ATOM 339 C THR A 21 -8.982 0.899 -6.797 1.00 0.00 C ATOM 340 O THR A 21 -10.121 0.584 -6.443 1.00 0.00 O ATOM 341 CB THR A 21 -9.136 1.832 -9.123 1.00 0.00 C ATOM 342 OG1 THR A 21 -8.797 1.598 -10.498 1.00 0.00 O ATOM 343 CG2 THR A 21 -8.623 3.200 -8.708 1.00 0.00 C ATOM 0 H THR A 21 -9.939 -0.675 -8.891 1.00 0.00 H new ATOM 0 HA THR A 21 -7.449 0.788 -8.286 1.00 0.00 H new ATOM 0 HB THR A 21 -10.218 1.814 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.054 0.686 -10.748 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.064 3.964 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.898 3.393 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.538 3.227 -8.806 1.00 0.00 H new ATOM 351 N VAL A 22 -8.076 1.378 -5.961 1.00 0.00 N ATOM 352 CA VAL A 22 -8.366 1.575 -4.550 1.00 0.00 C ATOM 353 C VAL A 22 -8.094 3.025 -4.153 1.00 0.00 C ATOM 354 O VAL A 22 -7.137 3.642 -4.632 1.00 0.00 O ATOM 355 CB VAL A 22 -7.527 0.626 -3.664 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.899 0.770 -2.195 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.683 -0.820 -4.114 1.00 0.00 C ATOM 0 H VAL A 22 -7.129 1.639 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.420 1.346 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.481 0.910 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.292 0.090 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.719 1.796 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.953 0.528 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.083 -1.467 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.731 -1.112 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.347 -0.918 -5.146 1.00 0.00 H new ATOM 367 N VAL A 23 -8.944 3.566 -3.293 1.00 0.00 N ATOM 368 CA VAL A 23 -8.790 4.933 -2.819 1.00 0.00 C ATOM 369 C VAL A 23 -7.924 4.965 -1.562 1.00 0.00 C ATOM 370 O VAL A 23 -8.181 4.239 -0.599 1.00 0.00 O ATOM 371 CB VAL A 23 -10.156 5.591 -2.521 1.00 0.00 C ATOM 372 CG1 VAL A 23 -9.976 7.035 -2.080 1.00 0.00 C ATOM 373 CG2 VAL A 23 -11.065 5.515 -3.739 1.00 0.00 C ATOM 0 H VAL A 23 -9.751 3.076 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.304 5.500 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.626 5.041 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.951 7.477 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.367 7.066 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.481 7.598 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.022 5.984 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.598 6.036 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.228 4.471 -4.007 1.00 0.00 H new ATOM 383 N VAL A 24 -6.897 5.798 -1.585 1.00 0.00 N ATOM 384 CA VAL A 24 -5.991 5.926 -0.454 1.00 0.00 C ATOM 385 C VAL A 24 -6.169 7.274 0.225 1.00 0.00 C ATOM 386 O VAL A 24 -6.466 8.278 -0.421 1.00 0.00 O ATOM 387 CB VAL A 24 -4.519 5.734 -0.870 1.00 0.00 C ATOM 388 CG1 VAL A 24 -4.281 4.302 -1.326 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.136 6.711 -1.965 1.00 0.00 C ATOM 0 H VAL A 24 -6.669 6.398 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.243 5.134 0.251 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.889 5.933 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.237 4.181 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.512 3.617 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.923 4.080 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.093 6.557 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.771 6.548 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.268 7.731 -1.605 1.00 0.00 H new ATOM 399 N SER A 25 -6.012 7.278 1.534 1.00 0.00 N ATOM 400 CA SER A 25 -6.202 8.483 2.316 1.00 0.00 C ATOM 401 C SER A 25 -4.857 9.026 2.791 1.00 0.00 C ATOM 402 O SER A 25 -4.775 10.128 3.326 1.00 0.00 O ATOM 403 CB SER A 25 -7.115 8.187 3.510 1.00 0.00 C ATOM 404 OG SER A 25 -7.613 9.380 4.086 1.00 0.00 O ATOM 0 H SER A 25 -5.752 6.457 2.080 1.00 0.00 H new ATOM 0 HA SER A 25 -6.674 9.241 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.947 7.562 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.563 7.621 4.261 1.00 0.00 H new ATOM 0 HG SER A 25 -8.485 9.594 3.693 1.00 0.00 H new ATOM 410 N THR A 26 -3.800 8.251 2.584 1.00 0.00 N ATOM 411 CA THR A 26 -2.471 8.652 3.028 1.00 0.00 C ATOM 412 C THR A 26 -1.506 8.760 1.851 1.00 0.00 C ATOM 413 O THR A 26 -1.690 8.102 0.829 1.00 0.00 O ATOM 414 CB THR A 26 -1.911 7.667 4.074 1.00 0.00 C ATOM 415 OG1 THR A 26 -2.059 6.320 3.608 1.00 0.00 O ATOM 416 CG2 THR A 26 -2.621 7.831 5.411 1.00 0.00 C ATOM 0 H THR A 26 -3.836 7.346 2.114 1.00 0.00 H new ATOM 0 HA THR A 26 -2.569 9.634 3.491 1.00 0.00 H new ATOM 0 HB THR A 26 -0.853 7.887 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.174 5.912 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.208 7.125 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.478 8.848 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.686 7.638 5.283 1.00 0.00 H new ATOM 424 N TRP A 27 -0.481 9.597 1.996 1.00 0.00 N ATOM 425 CA TRP A 27 0.501 9.806 0.937 1.00 0.00 C ATOM 426 C TRP A 27 1.521 8.672 0.896 1.00 0.00 C ATOM 427 O TRP A 27 2.321 8.566 -0.034 1.00 0.00 O ATOM 428 CB TRP A 27 1.203 11.151 1.128 1.00 0.00 C ATOM 429 CG TRP A 27 0.307 12.323 0.881 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.166 13.202 1.809 1.00 0.00 C ATOM 431 CD2 TRP A 27 -0.236 12.738 -0.377 1.00 0.00 C ATOM 432 NE1 TRP A 27 -0.965 14.144 1.204 1.00 0.00 N ATOM 433 CE2 TRP A 27 -1.023 13.878 -0.140 1.00 0.00 C ATOM 434 CE3 TRP A 27 -0.126 12.255 -1.682 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.701 14.543 -1.162 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.796 12.914 -2.695 1.00 0.00 C ATOM 437 CH2 TRP A 27 -1.575 14.046 -2.431 1.00 0.00 C ATOM 0 H TRP A 27 -0.309 10.143 2.840 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.026 9.814 -0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.594 11.208 2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.058 11.207 0.454 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.054 13.164 2.866 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.437 14.914 1.677 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.472 11.382 -1.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.302 15.417 -0.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.717 12.549 -3.708 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -2.087 14.537 -3.245 1.00 0.00 H new ATOM 448 N LYS A 28 1.493 7.833 1.913 1.00 0.00 N ATOM 449 CA LYS A 28 2.293 6.621 1.927 1.00 0.00 C ATOM 450 C LYS A 28 1.426 5.466 2.403 1.00 0.00 C ATOM 451 O LYS A 28 0.725 5.580 3.409 1.00 0.00 O ATOM 452 CB LYS A 28 3.548 6.794 2.797 1.00 0.00 C ATOM 453 CG LYS A 28 3.278 7.316 4.200 1.00 0.00 C ATOM 454 CD LYS A 28 4.570 7.739 4.886 1.00 0.00 C ATOM 455 CE LYS A 28 4.328 8.206 6.310 1.00 0.00 C ATOM 456 NZ LYS A 28 5.553 8.783 6.920 1.00 0.00 N ATOM 0 H LYS A 28 0.921 7.969 2.747 1.00 0.00 H new ATOM 0 HA LYS A 28 2.646 6.404 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.057 5.833 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.231 7.478 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.595 8.164 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.785 6.543 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.269 6.902 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.038 8.541 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.533 8.952 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.983 7.367 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.345 9.090 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.304 8.064 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.868 9.600 6.359 1.00 0.00 H new ATOM 470 N VAL A 29 1.439 4.374 1.658 1.00 0.00 N ATOM 471 CA VAL A 29 0.491 3.302 1.874 1.00 0.00 C ATOM 472 C VAL A 29 1.168 1.945 1.863 1.00 0.00 C ATOM 473 O VAL A 29 2.375 1.834 1.652 1.00 0.00 O ATOM 474 CB VAL A 29 -0.607 3.313 0.794 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.526 4.514 0.957 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.005 3.306 -0.600 1.00 0.00 C ATOM 0 H VAL A 29 2.098 4.209 0.897 1.00 0.00 H new ATOM 0 HA VAL A 29 0.047 3.470 2.855 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.201 2.408 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.291 4.495 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.002 4.477 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.944 5.432 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.789 3.314 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.631 4.189 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.612 2.410 -0.726 1.00 0.00 H new ATOM 486 N ALA A 30 0.372 0.917 2.081 1.00 0.00 N ATOM 487 CA ALA A 30 0.862 -0.443 2.043 1.00 0.00 C ATOM 488 C ALA A 30 0.046 -1.267 1.062 1.00 0.00 C ATOM 489 O ALA A 30 -1.166 -1.413 1.219 1.00 0.00 O ATOM 490 CB ALA A 30 0.811 -1.058 3.429 1.00 0.00 C ATOM 0 H ALA A 30 -0.623 1.001 2.287 1.00 0.00 H new ATOM 0 HA ALA A 30 1.899 -0.435 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.183 -2.082 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.432 -0.475 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.218 -1.060 3.789 1.00 0.00 H new ATOM 496 N CYS A 31 0.705 -1.787 0.039 1.00 0.00 N ATOM 497 CA CYS A 31 0.034 -2.626 -0.936 1.00 0.00 C ATOM 498 C CYS A 31 -0.030 -4.046 -0.413 1.00 0.00 C ATOM 499 O CYS A 31 0.965 -4.587 0.070 1.00 0.00 O ATOM 500 CB CYS A 31 0.744 -2.583 -2.285 1.00 0.00 C ATOM 501 SG CYS A 31 -0.090 -3.509 -3.594 1.00 0.00 S ATOM 0 H CYS A 31 1.699 -1.643 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.977 -2.248 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.843 -1.543 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.753 -2.977 -2.164 1.00 0.00 H new ATOM 0 HG CYS A 31 0.704 -4.434 -4.045 1.00 0.00 H new ATOM 507 N ASP A 32 -1.197 -4.644 -0.518 1.00 0.00 N ATOM 508 CA ASP A 32 -1.453 -5.925 0.131 1.00 0.00 C ATOM 509 C ASP A 32 -1.738 -7.017 -0.898 1.00 0.00 C ATOM 510 O ASP A 32 -2.029 -8.162 -0.548 1.00 0.00 O ATOM 511 CB ASP A 32 -2.629 -5.769 1.105 1.00 0.00 C ATOM 512 CG ASP A 32 -2.771 -6.926 2.076 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.889 -7.090 2.944 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.789 -7.644 2.008 1.00 0.00 O ATOM 0 H ASP A 32 -1.987 -4.270 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.564 -6.228 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.502 -4.845 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.552 -5.669 0.534 1.00 0.00 H new ATOM 519 N GLY A 33 -1.642 -6.657 -2.169 1.00 0.00 N ATOM 520 CA GLY A 33 -1.860 -7.622 -3.228 1.00 0.00 C ATOM 521 C GLY A 33 -2.542 -7.011 -4.434 1.00 0.00 C ATOM 522 O GLY A 33 -3.219 -5.988 -4.316 1.00 0.00 O ATOM 0 H GLY A 33 -1.417 -5.714 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.903 -8.047 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.467 -8.444 -2.848 1.00 0.00 H new ATOM 526 N GLY A 34 -2.357 -7.624 -5.594 1.00 0.00 N ATOM 527 CA GLY A 34 -3.004 -7.154 -6.801 1.00 0.00 C ATOM 528 C GLY A 34 -4.051 -8.129 -7.293 1.00 0.00 C ATOM 529 O GLY A 34 -4.150 -9.243 -6.781 1.00 0.00 O ATOM 0 H GLY A 34 -1.765 -8.445 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.469 -6.187 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.256 -7.001 -7.579 1.00 0.00 H new ATOM 533 N GLU A 35 -4.837 -7.712 -8.279 1.00 0.00 N ATOM 534 CA GLU A 35 -5.888 -8.564 -8.829 1.00 0.00 C ATOM 535 C GLU A 35 -5.303 -9.801 -9.503 1.00 0.00 C ATOM 536 O GLU A 35 -4.149 -9.802 -9.937 1.00 0.00 O ATOM 537 CB GLU A 35 -6.737 -7.790 -9.836 1.00 0.00 C ATOM 538 CG GLU A 35 -7.588 -6.700 -9.212 1.00 0.00 C ATOM 539 CD GLU A 35 -8.606 -7.245 -8.233 1.00 0.00 C ATOM 540 OE1 GLU A 35 -9.506 -7.998 -8.658 1.00 0.00 O ATOM 541 OE2 GLU A 35 -8.509 -6.930 -7.031 1.00 0.00 O ATOM 0 H GLU A 35 -4.768 -6.792 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.516 -8.884 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.080 -7.343 -10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.387 -8.489 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.941 -5.988 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.104 -6.152 -10.000 1.00 0.00 H new ATOM 548 N GLY A 36 -6.110 -10.849 -9.581 1.00 0.00 N ATOM 549 CA GLY A 36 -5.688 -12.075 -10.227 1.00 0.00 C ATOM 550 C GLY A 36 -4.618 -12.810 -9.443 1.00 0.00 C ATOM 551 O GLY A 36 -4.733 -12.991 -8.229 1.00 0.00 O ATOM 0 H GLY A 36 -7.058 -10.871 -9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.551 -12.728 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.310 -11.845 -11.223 1.00 0.00 H new ATOM 555 N ALA A 37 -3.561 -13.209 -10.136 1.00 0.00 N ATOM 556 CA ALA A 37 -2.483 -13.971 -9.519 1.00 0.00 C ATOM 557 C ALA A 37 -1.355 -13.047 -9.073 1.00 0.00 C ATOM 558 O ALA A 37 -0.283 -13.501 -8.677 1.00 0.00 O ATOM 559 CB ALA A 37 -1.957 -15.025 -10.486 1.00 0.00 C ATOM 0 H ALA A 37 -3.426 -13.017 -11.129 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.880 -14.475 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.152 -15.586 -10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.764 -15.706 -10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.578 -14.538 -11.384 1.00 0.00 H new ATOM 565 N LEU A 38 -1.613 -11.748 -9.119 1.00 0.00 N ATOM 566 CA LEU A 38 -0.609 -10.757 -8.760 1.00 0.00 C ATOM 567 C LEU A 38 -0.668 -10.427 -7.271 1.00 0.00 C ATOM 568 O LEU A 38 -0.367 -9.307 -6.856 1.00 0.00 O ATOM 569 CB LEU A 38 -0.803 -9.493 -9.598 1.00 0.00 C ATOM 570 CG LEU A 38 -0.607 -9.681 -11.105 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.853 -8.378 -11.845 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.790 -10.209 -11.402 1.00 0.00 C ATOM 0 H LEU A 38 -2.511 -11.355 -9.402 1.00 0.00 H new ATOM 0 HA LEU A 38 0.376 -11.174 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.808 -9.109 -9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.105 -8.732 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.333 -10.415 -11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.708 -8.534 -12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.874 -8.043 -11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.153 -7.621 -11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.910 -10.336 -12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.532 -9.500 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.929 -11.169 -10.906 1.00 0.00 H new ATOM 584 N GLY A 39 -1.043 -11.415 -6.470 1.00 0.00 N ATOM 585 CA GLY A 39 -1.071 -11.237 -5.035 1.00 0.00 C ATOM 586 C GLY A 39 0.314 -11.349 -4.428 1.00 0.00 C ATOM 587 O GLY A 39 1.170 -12.068 -4.950 1.00 0.00 O ATOM 0 H GLY A 39 -1.329 -12.340 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.494 -10.261 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.726 -11.985 -4.588 1.00 0.00 H new ATOM 591 N HIS A 40 0.538 -10.643 -3.331 1.00 0.00 N ATOM 592 CA HIS A 40 1.846 -10.619 -2.685 1.00 0.00 C ATOM 593 C HIS A 40 1.697 -10.215 -1.220 1.00 0.00 C ATOM 594 O HIS A 40 0.645 -9.703 -0.826 1.00 0.00 O ATOM 595 CB HIS A 40 2.790 -9.644 -3.417 1.00 0.00 C ATOM 596 CG HIS A 40 2.313 -8.221 -3.432 1.00 0.00 C ATOM 597 ND1 HIS A 40 2.416 -7.369 -2.358 1.00 0.00 N ATOM 598 CD2 HIS A 40 1.720 -7.504 -4.421 1.00 0.00 C ATOM 599 CE1 HIS A 40 1.898 -6.193 -2.707 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.459 -6.216 -3.954 1.00 0.00 N ATOM 0 H HIS A 40 -0.171 -10.076 -2.866 1.00 0.00 H new ATOM 0 HA HIS A 40 2.279 -11.618 -2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.771 -9.682 -2.944 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.919 -9.983 -4.445 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.820 -7.598 -1.450 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.488 -7.872 -5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.844 -5.333 -2.056 1.00 0.00 H new ATOM 608 N PRO A 41 2.727 -10.460 -0.389 1.00 0.00 N ATOM 609 CA PRO A 41 2.752 -9.980 0.998 1.00 0.00 C ATOM 610 C PRO A 41 2.761 -8.453 1.055 1.00 0.00 C ATOM 611 O PRO A 41 3.251 -7.800 0.139 1.00 0.00 O ATOM 612 CB PRO A 41 4.063 -10.546 1.561 1.00 0.00 C ATOM 613 CG PRO A 41 4.441 -11.649 0.632 1.00 0.00 C ATOM 614 CD PRO A 41 3.930 -11.240 -0.718 1.00 0.00 C ATOM 0 HA PRO A 41 1.874 -10.296 1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.838 -9.781 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.928 -10.916 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.521 -11.792 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.999 -12.594 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.662 -10.644 -1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.694 -12.104 -1.340 1.00 0.00 H new ATOM 622 N ARG A 42 2.218 -7.896 2.128 1.00 0.00 N ATOM 623 CA ARG A 42 2.063 -6.450 2.258 1.00 0.00 C ATOM 624 C ARG A 42 3.410 -5.723 2.183 1.00 0.00 C ATOM 625 O ARG A 42 4.338 -6.026 2.936 1.00 0.00 O ATOM 626 CB ARG A 42 1.350 -6.120 3.572 1.00 0.00 C ATOM 627 CG ARG A 42 1.014 -4.646 3.735 1.00 0.00 C ATOM 628 CD ARG A 42 0.055 -4.421 4.894 1.00 0.00 C ATOM 629 NE ARG A 42 -1.189 -5.161 4.710 1.00 0.00 N ATOM 630 CZ ARG A 42 -2.348 -4.851 5.289 1.00 0.00 C ATOM 631 NH1 ARG A 42 -2.454 -3.779 6.072 1.00 0.00 N ATOM 632 NH2 ARG A 42 -3.405 -5.624 5.073 1.00 0.00 N ATOM 0 H ARG A 42 1.874 -8.427 2.928 1.00 0.00 H new ATOM 0 HA ARG A 42 1.459 -6.101 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.430 -6.701 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.979 -6.434 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.930 -4.079 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.569 -4.268 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.529 -4.730 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.163 -3.357 4.986 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.170 -5.974 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.642 -3.184 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.347 -3.553 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.323 -6.443 4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.299 -5.399 5.510 1.00 0.00 H new ATOM 646 N VAL A 43 3.500 -4.769 1.260 1.00 0.00 N ATOM 647 CA VAL A 43 4.706 -3.967 1.071 1.00 0.00 C ATOM 648 C VAL A 43 4.375 -2.491 1.282 1.00 0.00 C ATOM 649 O VAL A 43 3.221 -2.089 1.141 1.00 0.00 O ATOM 650 CB VAL A 43 5.297 -4.144 -0.347 1.00 0.00 C ATOM 651 CG1 VAL A 43 6.711 -3.587 -0.425 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.273 -5.602 -0.775 1.00 0.00 C ATOM 0 H VAL A 43 2.740 -4.530 0.623 1.00 0.00 H new ATOM 0 HA VAL A 43 5.445 -4.306 1.797 1.00 0.00 H new ATOM 0 HB VAL A 43 4.670 -3.579 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.101 -3.725 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.697 -2.524 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.349 -4.112 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.695 -5.694 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.862 -6.196 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.244 -5.963 -0.780 1.00 0.00 H new ATOM 662 N TRP A 44 5.381 -1.689 1.592 1.00 0.00 N ATOM 663 CA TRP A 44 5.192 -0.275 1.871 1.00 0.00 C ATOM 664 C TRP A 44 5.557 0.565 0.651 1.00 0.00 C ATOM 665 O TRP A 44 6.641 0.412 0.089 1.00 0.00 O ATOM 666 CB TRP A 44 6.056 0.129 3.061 1.00 0.00 C ATOM 667 CG TRP A 44 5.722 -0.622 4.314 1.00 0.00 C ATOM 668 CD1 TRP A 44 6.403 -1.680 4.844 1.00 0.00 C ATOM 669 CD2 TRP A 44 4.615 -0.377 5.191 1.00 0.00 C ATOM 670 NE1 TRP A 44 5.790 -2.106 5.996 1.00 0.00 N ATOM 671 CE2 TRP A 44 4.689 -1.323 6.231 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.570 0.550 5.199 1.00 0.00 C ATOM 673 CZ2 TRP A 44 3.756 -1.367 7.265 1.00 0.00 C ATOM 674 CZ3 TRP A 44 2.646 0.505 6.224 1.00 0.00 C ATOM 675 CH2 TRP A 44 2.744 -0.449 7.246 1.00 0.00 C ATOM 0 H TRP A 44 6.350 -2.000 1.657 1.00 0.00 H new ATOM 0 HA TRP A 44 4.143 -0.099 2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.104 -0.037 2.814 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.937 1.197 3.242 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.294 -2.118 4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.103 -2.880 6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.486 1.290 4.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.830 -2.101 8.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.834 1.217 6.238 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.005 -0.459 8.034 1.00 0.00 H new ATOM 686 N LEU A 45 4.654 1.450 0.248 1.00 0.00 N ATOM 687 CA LEU A 45 4.855 2.270 -0.930 1.00 0.00 C ATOM 688 C LEU A 45 4.775 3.752 -0.584 1.00 0.00 C ATOM 689 O LEU A 45 4.272 4.127 0.479 1.00 0.00 O ATOM 690 CB LEU A 45 3.800 1.940 -1.983 1.00 0.00 C ATOM 691 CG LEU A 45 3.822 0.502 -2.507 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.695 0.286 -3.499 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.165 0.177 -3.149 1.00 0.00 C ATOM 0 H LEU A 45 3.769 1.616 0.728 1.00 0.00 H new ATOM 0 HA LEU A 45 5.848 2.055 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.815 2.140 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.929 2.618 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 45 3.679 -0.171 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.723 -0.741 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.739 0.472 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.812 0.972 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.155 -0.850 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.343 0.856 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.959 0.292 -2.411 1.00 0.00 H new ATOM 705 N SER A 46 5.259 4.582 -1.492 1.00 0.00 N ATOM 706 CA SER A 46 5.230 6.024 -1.323 1.00 0.00 C ATOM 707 C SER A 46 4.638 6.666 -2.576 1.00 0.00 C ATOM 708 O SER A 46 5.135 6.457 -3.686 1.00 0.00 O ATOM 709 CB SER A 46 6.650 6.550 -1.054 1.00 0.00 C ATOM 710 OG SER A 46 6.642 7.912 -0.653 1.00 0.00 O ATOM 0 H SER A 46 5.683 4.275 -2.367 1.00 0.00 H new ATOM 0 HA SER A 46 4.606 6.283 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.120 5.946 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.255 6.440 -1.954 1.00 0.00 H new ATOM 0 HG SER A 46 7.561 8.210 -0.489 1.00 0.00 H new ATOM 716 N ILE A 47 3.570 7.431 -2.400 1.00 0.00 N ATOM 717 CA ILE A 47 2.856 8.015 -3.529 1.00 0.00 C ATOM 718 C ILE A 47 3.624 9.194 -4.120 1.00 0.00 C ATOM 719 O ILE A 47 3.944 10.154 -3.415 1.00 0.00 O ATOM 720 CB ILE A 47 1.440 8.484 -3.121 1.00 0.00 C ATOM 721 CG1 ILE A 47 0.623 7.302 -2.599 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.731 9.146 -4.296 1.00 0.00 C ATOM 723 CD1 ILE A 47 -0.772 7.676 -2.156 1.00 0.00 C ATOM 0 H ILE A 47 3.178 7.662 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 47 2.766 7.233 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 47 1.537 9.222 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.556 6.545 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.152 6.849 -1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.263 9.468 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.306 10.011 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.643 8.433 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.291 6.787 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.714 8.410 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.319 8.102 -2.997 1.00 0.00 H new ATOM 735 N PRO A 48 3.935 9.121 -5.424 1.00 0.00 N ATOM 736 CA PRO A 48 4.609 10.203 -6.142 1.00 0.00 C ATOM 737 C PRO A 48 3.797 11.495 -6.119 1.00 0.00 C ATOM 738 O PRO A 48 2.689 11.558 -6.656 1.00 0.00 O ATOM 739 CB PRO A 48 4.727 9.677 -7.577 1.00 0.00 C ATOM 740 CG PRO A 48 4.569 8.201 -7.466 1.00 0.00 C ATOM 741 CD PRO A 48 3.657 7.971 -6.297 1.00 0.00 C ATOM 0 HA PRO A 48 5.570 10.451 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.959 10.108 -8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.691 9.938 -8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.145 7.784 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.533 7.716 -7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.611 7.940 -6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.872 7.026 -5.799 1.00 0.00 H new ATOM 749 N HIS A 49 4.367 12.527 -5.509 1.00 0.00 N ATOM 750 CA HIS A 49 3.691 13.815 -5.369 1.00 0.00 C ATOM 751 C HIS A 49 3.681 14.579 -6.689 1.00 0.00 C ATOM 752 O HIS A 49 3.142 15.679 -6.776 1.00 0.00 O ATOM 753 CB HIS A 49 4.347 14.661 -4.270 1.00 0.00 C ATOM 754 CG HIS A 49 4.106 14.147 -2.881 1.00 0.00 C ATOM 755 ND1 HIS A 49 3.290 14.788 -1.975 1.00 0.00 N ATOM 756 CD2 HIS A 49 4.585 13.054 -2.241 1.00 0.00 C ATOM 757 CE1 HIS A 49 3.277 14.114 -0.840 1.00 0.00 C ATOM 758 NE2 HIS A 49 4.057 13.056 -0.972 1.00 0.00 N ATOM 0 H HIS A 49 5.301 12.498 -5.101 1.00 0.00 H new ATOM 0 HA HIS A 49 2.658 13.615 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.421 14.703 -4.450 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.972 15.682 -4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.258 12.316 -2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.722 14.382 0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.237 12.357 -0.252 1.00 0.00 H new ATOM 767 N GLU A 50 4.275 13.984 -7.715 1.00 0.00 N ATOM 768 CA GLU A 50 4.274 14.569 -9.050 1.00 0.00 C ATOM 769 C GLU A 50 2.868 14.535 -9.650 1.00 0.00 C ATOM 770 O GLU A 50 2.445 15.465 -10.342 1.00 0.00 O ATOM 771 CB GLU A 50 5.249 13.818 -9.965 1.00 0.00 C ATOM 772 CG GLU A 50 4.981 12.319 -10.049 1.00 0.00 C ATOM 773 CD GLU A 50 5.791 11.631 -11.126 1.00 0.00 C ATOM 774 OE1 GLU A 50 6.955 11.270 -10.863 1.00 0.00 O ATOM 775 OE2 GLU A 50 5.265 11.438 -12.240 1.00 0.00 O ATOM 0 H GLU A 50 4.766 13.092 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 50 4.596 15.607 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.195 14.244 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.266 13.977 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.205 11.861 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.920 12.156 -10.240 1.00 0.00 H new ATOM 782 N THR A 51 2.149 13.458 -9.378 1.00 0.00 N ATOM 783 CA THR A 51 0.825 13.262 -9.939 1.00 0.00 C ATOM 784 C THR A 51 -0.237 13.164 -8.849 1.00 0.00 C ATOM 785 O THR A 51 -1.314 13.745 -8.966 1.00 0.00 O ATOM 786 CB THR A 51 0.783 11.988 -10.804 1.00 0.00 C ATOM 787 OG1 THR A 51 1.341 10.885 -10.074 1.00 0.00 O ATOM 788 CG2 THR A 51 1.555 12.180 -12.102 1.00 0.00 C ATOM 0 H THR A 51 2.464 12.703 -8.768 1.00 0.00 H new ATOM 0 HA THR A 51 0.608 14.131 -10.560 1.00 0.00 H new ATOM 0 HB THR A 51 -0.258 11.780 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.310 10.077 -10.628 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.508 11.265 -12.692 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.115 13.000 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.596 12.413 -11.875 1.00 0.00 H new ATOM 796 N GLY A 52 0.083 12.440 -7.783 1.00 0.00 N ATOM 797 CA GLY A 52 -0.887 12.198 -6.736 1.00 0.00 C ATOM 798 C GLY A 52 -1.449 10.793 -6.822 1.00 0.00 C ATOM 799 O GLY A 52 -2.376 10.432 -6.095 1.00 0.00 O ATOM 0 H GLY A 52 0.998 12.017 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.420 12.346 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.698 12.922 -6.814 1.00 0.00 H new ATOM 803 N PHE A 53 -0.876 10.000 -7.720 1.00 0.00 N ATOM 804 CA PHE A 53 -1.284 8.615 -7.901 1.00 0.00 C ATOM 805 C PHE A 53 -0.069 7.714 -7.743 1.00 0.00 C ATOM 806 O PHE A 53 1.041 8.111 -8.093 1.00 0.00 O ATOM 807 CB PHE A 53 -1.884 8.404 -9.295 1.00 0.00 C ATOM 808 CG PHE A 53 -2.867 9.465 -9.711 1.00 0.00 C ATOM 809 CD1 PHE A 53 -4.110 9.558 -9.106 1.00 0.00 C ATOM 810 CD2 PHE A 53 -2.548 10.367 -10.712 1.00 0.00 C ATOM 811 CE1 PHE A 53 -5.013 10.531 -9.491 1.00 0.00 C ATOM 812 CE2 PHE A 53 -3.445 11.341 -11.101 1.00 0.00 C ATOM 813 CZ PHE A 53 -4.678 11.423 -10.491 1.00 0.00 C ATOM 0 H PHE A 53 -0.121 10.298 -8.338 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.039 8.372 -7.153 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.075 8.368 -10.025 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.381 7.434 -9.321 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.376 8.862 -8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.584 10.307 -11.195 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.978 10.594 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.181 12.038 -11.883 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.382 12.184 -10.795 1.00 0.00 H new ATOM 823 N VAL A 54 -0.262 6.510 -7.229 1.00 0.00 N ATOM 824 CA VAL A 54 0.851 5.592 -7.067 1.00 0.00 C ATOM 825 C VAL A 54 0.697 4.389 -7.991 1.00 0.00 C ATOM 826 O VAL A 54 -0.272 3.625 -7.903 1.00 0.00 O ATOM 827 CB VAL A 54 1.036 5.142 -5.595 1.00 0.00 C ATOM 828 CG1 VAL A 54 -0.237 4.526 -5.037 1.00 0.00 C ATOM 829 CG2 VAL A 54 2.207 4.176 -5.469 1.00 0.00 C ATOM 0 H VAL A 54 -1.165 6.150 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 54 1.755 6.132 -7.347 1.00 0.00 H new ATOM 0 HB VAL A 54 1.259 6.030 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.071 4.222 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.043 5.259 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.511 3.655 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.319 3.873 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.021 3.296 -6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.121 4.666 -5.804 1.00 0.00 H new ATOM 839 N GLU A 55 1.647 4.265 -8.906 1.00 0.00 N ATOM 840 CA GLU A 55 1.667 3.181 -9.873 1.00 0.00 C ATOM 841 C GLU A 55 2.570 2.058 -9.381 1.00 0.00 C ATOM 842 O GLU A 55 3.777 2.250 -9.218 1.00 0.00 O ATOM 843 CB GLU A 55 2.167 3.703 -11.223 1.00 0.00 C ATOM 844 CG GLU A 55 1.235 4.714 -11.868 1.00 0.00 C ATOM 845 CD GLU A 55 0.073 4.058 -12.582 1.00 0.00 C ATOM 846 OE1 GLU A 55 -0.859 3.578 -11.908 1.00 0.00 O ATOM 847 OE2 GLU A 55 0.086 4.017 -13.831 1.00 0.00 O ATOM 0 H GLU A 55 2.427 4.916 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 55 0.656 2.791 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.147 4.161 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.301 2.861 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.852 5.390 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.797 5.321 -12.578 1.00 0.00 H new ATOM 854 N CYS A 56 1.988 0.899 -9.134 1.00 0.00 N ATOM 855 CA CYS A 56 2.740 -0.228 -8.605 1.00 0.00 C ATOM 856 C CYS A 56 3.515 -0.933 -9.716 1.00 0.00 C ATOM 857 O CYS A 56 3.010 -1.104 -10.827 1.00 0.00 O ATOM 858 CB CYS A 56 1.795 -1.216 -7.919 1.00 0.00 C ATOM 859 SG CYS A 56 2.632 -2.534 -7.015 1.00 0.00 S ATOM 0 H CYS A 56 0.998 0.712 -9.290 1.00 0.00 H new ATOM 0 HA CYS A 56 3.454 0.151 -7.874 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.153 -0.668 -7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.146 -1.663 -8.672 1.00 0.00 H new ATOM 0 HG CYS A 56 1.804 -3.516 -6.815 1.00 0.00 H new ATOM 865 N GLY A 57 4.752 -1.313 -9.417 1.00 0.00 N ATOM 866 CA GLY A 57 5.547 -2.085 -10.354 1.00 0.00 C ATOM 867 C GLY A 57 5.569 -3.551 -9.974 1.00 0.00 C ATOM 868 O GLY A 57 6.107 -4.391 -10.698 1.00 0.00 O ATOM 0 H GLY A 57 5.221 -1.099 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.140 -1.973 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.565 -1.697 -10.377 1.00 0.00 H new ATOM 872 N TYR A 58 4.990 -3.853 -8.818 1.00 0.00 N ATOM 873 CA TYR A 58 4.888 -5.224 -8.341 1.00 0.00 C ATOM 874 C TYR A 58 3.652 -5.904 -8.907 1.00 0.00 C ATOM 875 O TYR A 58 3.686 -7.080 -9.264 1.00 0.00 O ATOM 876 CB TYR A 58 4.832 -5.263 -6.812 1.00 0.00 C ATOM 877 CG TYR A 58 6.156 -5.570 -6.150 1.00 0.00 C ATOM 878 CD1 TYR A 58 6.604 -6.880 -6.040 1.00 0.00 C ATOM 879 CD2 TYR A 58 6.950 -4.560 -5.627 1.00 0.00 C ATOM 880 CE1 TYR A 58 7.805 -7.174 -5.429 1.00 0.00 C ATOM 881 CE2 TYR A 58 8.156 -4.848 -5.016 1.00 0.00 C ATOM 882 CZ TYR A 58 8.576 -6.158 -4.918 1.00 0.00 C ATOM 883 OH TYR A 58 9.770 -6.454 -4.307 1.00 0.00 O ATOM 0 H TYR A 58 4.582 -3.160 -8.191 1.00 0.00 H new ATOM 0 HA TYR A 58 5.775 -5.758 -8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.471 -4.301 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.103 -6.013 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.002 -7.682 -6.440 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.621 -3.534 -5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.138 -8.199 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.766 -4.051 -4.617 1.00 0.00 H new ATOM 0 HH TYR A 58 10.195 -5.626 -4.001 1.00 0.00 H new ATOM 893 N CYS A 59 2.562 -5.160 -8.992 1.00 0.00 N ATOM 894 CA CYS A 59 1.302 -5.732 -9.425 1.00 0.00 C ATOM 895 C CYS A 59 0.452 -4.708 -10.168 1.00 0.00 C ATOM 896 O CYS A 59 0.848 -3.552 -10.326 1.00 0.00 O ATOM 897 CB CYS A 59 0.539 -6.289 -8.220 1.00 0.00 C ATOM 898 SG CYS A 59 0.396 -5.132 -6.839 1.00 0.00 S ATOM 0 H CYS A 59 2.525 -4.166 -8.768 1.00 0.00 H new ATOM 0 HA CYS A 59 1.518 -6.545 -10.118 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.461 -6.581 -8.540 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.040 -7.193 -7.873 1.00 0.00 H new ATOM 0 HG CYS A 59 0.985 -5.630 -5.793 1.00 0.00 H new ATOM 904 N ASP A 60 -0.733 -5.143 -10.582 1.00 0.00 N ATOM 905 CA ASP A 60 -1.634 -4.353 -11.409 1.00 0.00 C ATOM 906 C ASP A 60 -2.469 -3.418 -10.538 1.00 0.00 C ATOM 907 O ASP A 60 -3.673 -3.262 -10.732 1.00 0.00 O ATOM 908 CB ASP A 60 -2.541 -5.299 -12.210 1.00 0.00 C ATOM 909 CG ASP A 60 -3.209 -4.629 -13.392 1.00 0.00 C ATOM 910 OD1 ASP A 60 -2.485 -4.069 -14.242 1.00 0.00 O ATOM 911 OD2 ASP A 60 -4.450 -4.702 -13.506 1.00 0.00 O ATOM 0 H ASP A 60 -1.098 -6.066 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.053 -3.742 -12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.950 -6.143 -12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.308 -5.703 -11.549 1.00 0.00 H new ATOM 916 N ARG A 61 -1.815 -2.811 -9.563 1.00 0.00 N ATOM 917 CA ARG A 61 -2.482 -1.925 -8.631 1.00 0.00 C ATOM 918 C ARG A 61 -2.262 -0.457 -8.971 1.00 0.00 C ATOM 919 O ARG A 61 -1.135 -0.009 -9.200 1.00 0.00 O ATOM 920 CB ARG A 61 -2.002 -2.199 -7.210 1.00 0.00 C ATOM 921 CG ARG A 61 -2.656 -3.416 -6.579 1.00 0.00 C ATOM 922 CD ARG A 61 -4.159 -3.229 -6.439 1.00 0.00 C ATOM 923 NE ARG A 61 -4.802 -4.405 -5.864 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.020 -4.828 -6.201 1.00 0.00 C ATOM 925 NH1 ARG A 61 -6.754 -4.141 -7.069 1.00 0.00 N ATOM 926 NH2 ARG A 61 -6.506 -5.942 -5.673 1.00 0.00 N ATOM 0 H ARG A 61 -0.814 -2.918 -9.397 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.551 -2.126 -8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.921 -2.340 -7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.204 -1.325 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.453 -4.297 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.218 -3.599 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.360 -2.362 -5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.592 -3.021 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.288 -4.936 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.386 -3.284 -7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.685 -4.470 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.948 -6.477 -5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.438 -6.265 -5.932 1.00 0.00 H new ATOM 940 N ARG A 62 -3.360 0.277 -9.007 1.00 0.00 N ATOM 941 CA ARG A 62 -3.332 1.722 -9.157 1.00 0.00 C ATOM 942 C ARG A 62 -4.172 2.347 -8.053 1.00 0.00 C ATOM 943 O ARG A 62 -5.363 2.050 -7.924 1.00 0.00 O ATOM 944 CB ARG A 62 -3.857 2.130 -10.538 1.00 0.00 C ATOM 945 CG ARG A 62 -4.083 3.627 -10.703 1.00 0.00 C ATOM 946 CD ARG A 62 -4.447 3.986 -12.138 1.00 0.00 C ATOM 947 NE ARG A 62 -3.296 3.875 -13.034 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.370 3.901 -14.364 1.00 0.00 C ATOM 949 NH1 ARG A 62 -4.550 3.980 -14.974 1.00 0.00 N ATOM 950 NH2 ARG A 62 -2.257 3.853 -15.086 1.00 0.00 N ATOM 0 H ARG A 62 -4.299 -0.113 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.305 2.079 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.150 1.795 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.796 1.609 -10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.880 3.951 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.182 4.166 -10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.244 3.329 -12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.836 5.004 -12.171 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.373 3.771 -12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.407 4.021 -14.423 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.597 3.999 -15.993 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.350 3.796 -14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.309 3.873 -16.105 1.00 0.00 H new ATOM 964 N TYR A 63 -3.551 3.185 -7.236 1.00 0.00 N ATOM 965 CA TYR A 63 -4.239 3.780 -6.098 1.00 0.00 C ATOM 966 C TYR A 63 -4.455 5.266 -6.312 1.00 0.00 C ATOM 967 O TYR A 63 -3.545 5.986 -6.731 1.00 0.00 O ATOM 968 CB TYR A 63 -3.465 3.544 -4.801 1.00 0.00 C ATOM 969 CG TYR A 63 -3.284 2.083 -4.451 1.00 0.00 C ATOM 970 CD1 TYR A 63 -2.184 1.369 -4.909 1.00 0.00 C ATOM 971 CD2 TYR A 63 -4.214 1.418 -3.663 1.00 0.00 C ATOM 972 CE1 TYR A 63 -2.015 0.036 -4.593 1.00 0.00 C ATOM 973 CE2 TYR A 63 -4.052 0.084 -3.341 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.950 -0.603 -3.807 1.00 0.00 C ATOM 975 OH TYR A 63 -2.788 -1.935 -3.496 1.00 0.00 O ATOM 0 H TYR A 63 -2.576 3.468 -7.338 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.211 3.295 -6.012 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.484 4.011 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.986 4.041 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.448 1.866 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.078 1.952 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.154 -0.504 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.785 -0.419 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.847 -2.185 -3.608 1.00 0.00 H new ATOM 985 N ILE A 64 -5.667 5.714 -6.024 1.00 0.00 N ATOM 986 CA ILE A 64 -6.025 7.112 -6.183 1.00 0.00 C ATOM 987 C ILE A 64 -6.207 7.749 -4.816 1.00 0.00 C ATOM 988 O ILE A 64 -6.979 7.247 -3.995 1.00 0.00 O ATOM 989 CB ILE A 64 -7.339 7.275 -6.988 1.00 0.00 C ATOM 990 CG1 ILE A 64 -7.288 6.465 -8.294 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.611 8.746 -7.280 1.00 0.00 C ATOM 992 CD1 ILE A 64 -6.177 6.870 -9.242 1.00 0.00 C ATOM 0 H ILE A 64 -6.423 5.124 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.219 7.602 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.157 6.887 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.172 5.410 -8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.243 6.569 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.538 8.839 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.702 9.292 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.787 9.160 -7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.216 6.247 -10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.301 7.916 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.213 6.739 -8.750 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.490 8.833 -4.557 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.639 9.537 -3.292 1.00 0.00 C ATOM 1006 C HIS A 65 -6.969 10.278 -3.271 1.00 0.00 C ATOM 1007 O HIS A 65 -7.363 10.876 -4.275 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.482 10.511 -3.066 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.435 11.068 -1.675 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.193 12.154 -1.311 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -3.712 10.655 -0.606 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -4.918 12.378 -0.041 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.029 11.496 0.431 1.00 0.00 N ATOM 0 H HIS A 65 -4.808 9.240 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.622 8.806 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.542 10.002 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.566 11.334 -3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.021 9.826 -0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.355 13.173 0.545 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.658 11.456 1.380 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.655 10.228 -2.131 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.972 10.837 -1.983 1.00 0.00 C ATOM 1023 C GLU A 66 -8.973 12.316 -2.380 1.00 0.00 C ATOM 1024 O GLU A 66 -9.980 12.833 -2.870 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.460 10.688 -0.541 1.00 0.00 C ATOM 1026 CG GLU A 66 -8.488 11.228 0.497 1.00 0.00 C ATOM 1027 CD GLU A 66 -9.114 11.359 1.868 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -9.480 10.325 2.465 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -9.234 12.501 2.361 1.00 0.00 O ATOM 0 H GLU A 66 -7.314 9.766 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.649 10.314 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.414 11.205 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.645 9.633 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.623 10.567 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.122 12.203 0.174 1.00 0.00 H new ATOM 1036 N SER A 67 -7.844 12.989 -2.189 1.00 0.00 N ATOM 1037 CA SER A 67 -7.746 14.410 -2.484 1.00 0.00 C ATOM 1038 C SER A 67 -7.800 14.656 -3.990 1.00 0.00 C ATOM 1039 O SER A 67 -8.216 15.722 -4.441 1.00 0.00 O ATOM 1040 CB SER A 67 -6.452 14.984 -1.897 1.00 0.00 C ATOM 1041 OG SER A 67 -6.449 16.399 -1.915 1.00 0.00 O ATOM 0 H SER A 67 -6.985 12.572 -1.831 1.00 0.00 H new ATOM 0 HA SER A 67 -8.596 14.916 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.331 14.633 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.599 14.611 -2.464 1.00 0.00 H new ATOM 0 HG SER A 67 -5.610 16.729 -1.532 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.398 13.659 -4.768 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.424 13.772 -6.220 1.00 0.00 C ATOM 1049 C PHE A 68 -8.597 12.974 -6.788 1.00 0.00 C ATOM 1050 O PHE A 68 -8.857 12.988 -7.991 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.102 13.275 -6.818 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.556 14.169 -7.900 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -6.140 14.201 -9.153 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -4.457 14.980 -7.654 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -5.641 15.025 -10.144 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -3.953 15.804 -8.640 1.00 0.00 C ATOM 1057 CZ PHE A 68 -4.548 15.828 -9.886 1.00 0.00 C ATOM 0 H PHE A 68 -7.051 12.766 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.551 14.821 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.362 13.189 -6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.250 12.275 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.996 13.575 -9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.991 14.966 -6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.105 15.041 -11.119 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.095 16.428 -8.438 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.158 16.475 -10.658 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.310 12.289 -5.905 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.449 11.473 -6.306 1.00 0.00 C ATOM 1069 C ALA A 69 -11.715 12.318 -6.380 1.00 0.00 C ATOM 1070 O ALA A 69 -12.693 11.926 -7.019 1.00 0.00 O ATOM 1071 CB ALA A 69 -10.640 10.314 -5.341 1.00 0.00 C ATOM 0 H ALA A 69 -9.120 12.282 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.248 11.068 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.495 9.715 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.744 9.693 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.818 10.701 -4.338 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.678 13.481 -5.719 1.00 0.00 N ATOM 1078 CA ALA A 70 -12.802 14.411 -5.694 1.00 0.00 C ATOM 1079 C ALA A 70 -14.040 13.759 -5.085 1.00 0.00 C ATOM 1080 O ALA A 70 -15.078 13.638 -5.734 1.00 0.00 O ATOM 1081 CB ALA A 70 -13.097 14.950 -7.090 1.00 0.00 C ATOM 0 H ALA A 70 -10.867 13.799 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.524 15.254 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.939 15.641 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.220 15.473 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.343 14.122 -7.755 1.00 0.00 H new ATOM 1087 N ALA A 71 -13.919 13.331 -3.834 1.00 0.00 N ATOM 1088 CA ALA A 71 -15.034 12.713 -3.132 1.00 0.00 C ATOM 1089 C ALA A 71 -16.047 13.770 -2.696 1.00 0.00 C ATOM 1090 O ALA A 71 -16.045 14.219 -1.549 1.00 0.00 O ATOM 1091 CB ALA A 71 -14.534 11.909 -1.937 1.00 0.00 C ATOM 0 H ALA A 71 -13.061 13.401 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 71 -15.536 12.027 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.382 11.454 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.857 11.128 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.006 12.570 -1.249 1.00 0.00 H new ATOM 1097 N LYS A 72 -16.879 14.195 -3.638 1.00 0.00 N ATOM 1098 CA LYS A 72 -17.893 15.207 -3.373 1.00 0.00 C ATOM 1099 C LYS A 72 -19.013 14.644 -2.509 1.00 0.00 C ATOM 1100 O LYS A 72 -19.491 15.303 -1.589 1.00 0.00 O ATOM 1101 CB LYS A 72 -18.472 15.740 -4.688 1.00 0.00 C ATOM 1102 CG LYS A 72 -19.540 16.809 -4.497 1.00 0.00 C ATOM 1103 CD LYS A 72 -20.205 17.180 -5.810 1.00 0.00 C ATOM 1104 CE LYS A 72 -21.276 18.236 -5.596 1.00 0.00 C ATOM 1105 NZ LYS A 72 -21.997 18.562 -6.853 1.00 0.00 N ATOM 0 H LYS A 72 -16.871 13.852 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.416 16.025 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.662 16.151 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.898 14.909 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -20.294 16.449 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.090 17.697 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.456 17.552 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -20.649 16.292 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -21.989 17.883 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -20.818 19.141 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -22.718 19.286 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -21.322 18.923 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -22.456 17.705 -7.222 1.00 0.00 H new ATOM 1119 N LEU A 73 -19.417 13.422 -2.812 1.00 0.00 N ATOM 1120 CA LEU A 73 -20.529 12.785 -2.126 1.00 0.00 C ATOM 1121 C LEU A 73 -20.026 11.862 -1.022 1.00 0.00 C ATOM 1122 O LEU A 73 -18.814 11.722 -0.834 1.00 0.00 O ATOM 1123 CB LEU A 73 -21.371 11.993 -3.129 1.00 0.00 C ATOM 1124 CG LEU A 73 -21.971 12.817 -4.270 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -22.724 11.918 -5.239 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -22.891 13.900 -3.728 1.00 0.00 C ATOM 0 H LEU A 73 -18.987 12.846 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 73 -21.145 13.560 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -20.751 11.206 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.182 11.503 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 73 -21.154 13.299 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -23.144 12.521 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -22.039 11.180 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -23.529 11.407 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -23.306 14.473 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -23.702 13.440 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -22.325 14.564 -3.075 1.00 0.00 H new ATOM 1138 N GLU A 74 -20.969 11.249 -0.302 1.00 0.00 N ATOM 1139 CA GLU A 74 -20.667 10.302 0.777 1.00 0.00 C ATOM 1140 C GLU A 74 -20.021 11.031 1.960 1.00 0.00 C ATOM 1141 O GLU A 74 -18.824 11.327 1.953 1.00 0.00 O ATOM 1142 CB GLU A 74 -19.769 9.164 0.257 1.00 0.00 C ATOM 1143 CG GLU A 74 -19.831 7.880 1.079 1.00 0.00 C ATOM 1144 CD GLU A 74 -18.983 7.924 2.338 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -19.464 8.415 3.371 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -17.825 7.454 2.293 1.00 0.00 O ATOM 0 H GLU A 74 -21.967 11.395 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.598 9.856 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.052 8.936 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.737 9.515 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.867 7.685 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.504 7.045 0.459 1.00 0.00 H new ATOM 1153 N HIS A 75 -20.833 11.344 2.966 1.00 0.00 N ATOM 1154 CA HIS A 75 -20.373 12.107 4.122 1.00 0.00 C ATOM 1155 C HIS A 75 -20.873 11.489 5.417 1.00 0.00 C ATOM 1156 O HIS A 75 -22.064 11.554 5.724 1.00 0.00 O ATOM 1157 CB HIS A 75 -20.855 13.561 4.045 1.00 0.00 C ATOM 1158 CG HIS A 75 -20.244 14.353 2.934 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -19.199 15.226 3.123 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -20.545 14.411 1.618 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -18.881 15.785 1.975 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -19.683 15.307 1.043 1.00 0.00 N ATOM 0 H HIS A 75 -21.817 11.079 3.003 1.00 0.00 H new ATOM 0 HA HIS A 75 -19.283 12.086 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -21.939 13.567 3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -20.635 14.055 4.991 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -21.321 13.854 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.097 16.512 1.822 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -19.664 15.563 0.056 1.00 0.00 H new ATOM 1171 N HIS A 76 -19.953 10.886 6.163 1.00 0.00 N ATOM 1172 CA HIS A 76 -20.232 10.337 7.492 1.00 0.00 C ATOM 1173 C HIS A 76 -21.125 9.099 7.425 1.00 0.00 C ATOM 1174 O HIS A 76 -21.463 8.623 6.340 1.00 0.00 O ATOM 1175 CB HIS A 76 -20.854 11.392 8.412 1.00 0.00 C ATOM 1176 CG HIS A 76 -19.900 12.477 8.816 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -19.089 12.384 9.926 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -19.628 13.679 8.257 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -18.365 13.479 10.033 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -18.668 14.284 9.033 1.00 0.00 N ATOM 0 H HIS A 76 -18.986 10.762 5.864 1.00 0.00 H new ATOM 0 HA HIS A 76 -19.273 10.033 7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -21.710 11.842 7.908 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -21.233 10.901 9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.081 14.087 7.366 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.643 13.684 10.810 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.258 15.203 8.864 1.00 0.00 H new ATOM 1189 N HIS A 77 -21.505 8.590 8.605 1.00 0.00 N ATOM 1190 CA HIS A 77 -22.256 7.337 8.732 1.00 0.00 C ATOM 1191 C HIS A 77 -21.391 6.170 8.279 1.00 0.00 C ATOM 1192 O HIS A 77 -20.218 6.341 7.946 1.00 0.00 O ATOM 1193 CB HIS A 77 -23.553 7.346 7.905 1.00 0.00 C ATOM 1194 CG HIS A 77 -24.520 8.435 8.249 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -25.438 8.919 7.346 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -24.726 9.125 9.399 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -26.165 9.858 7.916 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -25.756 10.004 9.162 1.00 0.00 N ATOM 0 H HIS A 77 -21.299 9.037 9.498 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.527 7.231 9.783 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.292 7.433 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -24.052 6.385 8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -24.183 9.006 10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -26.961 10.414 7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -26.141 10.662 9.839 1.00 0.00 H new ATOM 1207 N HIS A 78 -21.961 4.980 8.294 1.00 0.00 N ATOM 1208 CA HIS A 78 -21.319 3.845 7.663 1.00 0.00 C ATOM 1209 C HIS A 78 -21.902 3.682 6.266 1.00 0.00 C ATOM 1210 O HIS A 78 -23.064 3.306 6.100 1.00 0.00 O ATOM 1211 CB HIS A 78 -21.442 2.559 8.509 1.00 0.00 C ATOM 1212 CG HIS A 78 -22.840 2.048 8.729 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -23.748 2.660 9.566 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -23.474 0.962 8.224 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -24.876 1.977 9.568 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -24.738 0.944 8.762 1.00 0.00 N ATOM 0 H HIS A 78 -22.859 4.776 8.732 1.00 0.00 H new ATOM 0 HA HIS A 78 -20.248 4.030 7.585 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -20.860 1.773 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -20.986 2.742 9.482 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -23.063 0.245 7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -25.762 2.223 10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -25.454 0.244 8.569 1.00 0.00 H new ATOM 1225 N HIS A 79 -21.096 4.019 5.267 1.00 0.00 N ATOM 1226 CA HIS A 79 -21.561 4.077 3.880 1.00 0.00 C ATOM 1227 C HIS A 79 -21.990 2.710 3.353 1.00 0.00 C ATOM 1228 O HIS A 79 -22.663 2.617 2.329 1.00 0.00 O ATOM 1229 CB HIS A 79 -20.499 4.704 2.958 1.00 0.00 C ATOM 1230 CG HIS A 79 -19.115 4.128 3.084 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -17.976 4.903 3.076 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -18.690 2.848 3.200 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -16.916 4.128 3.186 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -17.324 2.877 3.261 1.00 0.00 N ATOM 0 H HIS A 79 -20.112 4.258 5.389 1.00 0.00 H new ATOM 0 HA HIS A 79 -22.443 4.718 3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -20.828 4.593 1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -20.449 5.773 3.163 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -17.956 5.920 2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.314 1.967 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -15.889 4.461 3.211 1.00 0.00 H new ATOM 1243 N HIS A 80 -21.588 1.655 4.047 1.00 0.00 N ATOM 1244 CA HIS A 80 -22.014 0.306 3.703 1.00 0.00 C ATOM 1245 C HIS A 80 -22.542 -0.391 4.950 1.00 0.00 C ATOM 1246 O HIS A 80 -23.764 -0.317 5.198 1.00 0.00 O ATOM 1247 CB HIS A 80 -20.863 -0.504 3.084 1.00 0.00 C ATOM 1248 CG HIS A 80 -20.408 0.007 1.750 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -19.093 -0.009 1.346 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -21.100 0.566 0.732 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -18.997 0.519 0.143 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -20.201 0.881 -0.258 1.00 0.00 N ATOM 1253 OXT HIS A 80 -21.728 -0.966 5.697 1.00 0.00 O ATOM 0 H HIS A 80 -20.966 1.707 4.854 1.00 0.00 H new ATOM 0 HA HIS A 80 -22.807 0.372 2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.017 -0.499 3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -21.179 -1.542 2.976 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.166 0.734 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.084 0.636 -0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -20.426 1.320 -1.151 1.00 0.00 H new TER 1262 HIS A 80