USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 8 CYS SG : rot 50:sc= 0.0975 USER MOD Set 1.2: A 11 CYS SG : rot -43:sc= 0.28 USER MOD Set 1.3: A 15 TYR OH : rot -176:sc= 1.28 USER MOD Set 1.4: A 31 CYS SG : rot -64:sc= 0.225 USER MOD Set 1.5: A 34 CYS SG : rot 87:sc= 0.572 USER MOD Set 2.1: A 26 CYS SG : rot 105:sc= 0.461 USER MOD Set 2.2: A 28 CYS SG : rot 50:sc= 2.02 USER MOD Set 2.3: A 53 CYS SG : rot -160:sc= -1.22 USER MOD Set 2.4: A 58 CYS SG : rot 109:sc= 0.629 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.196 K(o=-0.19,f=-0.91) USER MOD Set 3.2: A 60 LYS NZ :NH3+ 144:sc= 0.00627 (180deg=0) USER MOD Set 4.1: A 6 SER OG : rot -25:sc= 0.0863 USER MOD Set 4.2: A 20 MET CE :methyl -112:sc= -1.52 (180deg=-5.11!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.7) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.65) USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.65 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -160:sc= 0.454 USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= -0.0137 (180deg=-0.923) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00562 USER MOD Single : A 61 GLN : amide:sc= -0.0036 K(o=-0.0036,f=-1) USER MOD Single : A 63 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.001) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 67 ASN : amide:sc= -0.0345 K(o=-0.034,f=-0.66) USER MOD Single : A 71 CYS SG : rot 11:sc= 1.24 USER MOD Single : A 72 MET CE :methyl 180:sc= -0.242 (180deg=-0.242) USER MOD Single : A 78 MET CE :methyl -133:sc= -1.26 (180deg=-1.54) USER MOD Single : A 79 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3.3!) USER MOD Single : A 81 TYR OH : rot -30:sc= 1.04 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -9.54! C(o=-9.5!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.114 -17.127 -3.354 1.00 0.00 N ATOM 49 CA SER A 6 -10.887 -17.212 -4.137 1.00 0.00 C ATOM 50 C SER A 6 -9.722 -17.682 -3.272 1.00 0.00 C ATOM 51 O SER A 6 -8.751 -18.248 -3.773 1.00 0.00 O ATOM 52 CB SER A 6 -10.559 -15.853 -4.760 1.00 0.00 C ATOM 53 OG SER A 6 -10.584 -14.825 -3.784 1.00 0.00 O ATOM 0 HA SER A 6 -11.043 -17.940 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.575 -15.892 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.277 -15.628 -5.548 1.00 0.00 H new ATOM 0 HG SER A 6 -11.164 -15.094 -3.041 1.00 0.00 H new ATOM 59 N GLY A 7 -9.826 -17.443 -1.968 1.00 0.00 N ATOM 60 CA GLY A 7 -8.776 -17.848 -1.053 1.00 0.00 C ATOM 61 C GLY A 7 -7.595 -16.898 -1.070 1.00 0.00 C ATOM 62 O GLY A 7 -6.798 -16.903 -2.008 1.00 0.00 O ATOM 0 H GLY A 7 -10.620 -16.976 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.180 -17.903 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.436 -18.850 -1.315 1.00 0.00 H new ATOM 66 N CYS A 8 -7.483 -16.078 -0.029 1.00 0.00 N ATOM 67 CA CYS A 8 -6.392 -15.117 0.072 1.00 0.00 C ATOM 68 C CYS A 8 -5.043 -15.827 0.134 1.00 0.00 C ATOM 69 O CYS A 8 -4.975 -17.037 0.357 1.00 0.00 O ATOM 70 CB CYS A 8 -6.574 -14.238 1.311 1.00 0.00 C ATOM 71 SG CYS A 8 -5.483 -12.779 1.355 1.00 0.00 S ATOM 0 H CYS A 8 -8.135 -16.061 0.756 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.411 -14.489 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.611 -13.905 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.393 -14.841 2.201 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.561 -12.145 0.223 1.00 0.00 H new ATOM 76 N LYS A 9 -3.971 -15.068 -0.066 1.00 0.00 N ATOM 77 CA LYS A 9 -2.623 -15.623 -0.033 1.00 0.00 C ATOM 78 C LYS A 9 -1.879 -15.167 1.218 1.00 0.00 C ATOM 79 O LYS A 9 -0.896 -15.787 1.629 1.00 0.00 O ATOM 80 CB LYS A 9 -1.846 -15.205 -1.283 1.00 0.00 C ATOM 81 CG LYS A 9 -2.385 -15.814 -2.566 1.00 0.00 C ATOM 82 CD LYS A 9 -1.400 -15.661 -3.713 1.00 0.00 C ATOM 83 CE LYS A 9 -0.311 -16.722 -3.656 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.691 -17.948 -4.412 1.00 0.00 N ATOM 0 H LYS A 9 -4.010 -14.066 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.704 -16.710 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.869 -14.119 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.801 -15.493 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.598 -16.871 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.328 -15.335 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.931 -15.733 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.947 -14.670 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.614 -16.315 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.112 -16.983 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.077 -18.647 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.560 -18.351 -4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.856 -17.704 -5.409 1.00 0.00 H new ATOM 98 N LEU A 10 -2.351 -14.082 1.821 1.00 0.00 N ATOM 99 CA LEU A 10 -1.731 -13.544 3.026 1.00 0.00 C ATOM 100 C LEU A 10 -2.322 -14.187 4.276 1.00 0.00 C ATOM 101 O LEU A 10 -1.609 -14.805 5.067 1.00 0.00 O ATOM 102 CB LEU A 10 -1.914 -12.026 3.084 1.00 0.00 C ATOM 103 CG LEU A 10 -0.881 -11.196 2.321 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.176 -9.712 2.467 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.524 -11.513 2.809 1.00 0.00 C ATOM 0 H LEU A 10 -3.162 -13.557 1.495 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.666 -13.774 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.903 -11.784 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.898 -11.718 4.129 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.944 -11.456 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.431 -9.137 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.167 -9.497 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.142 -9.436 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.246 -10.913 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.601 -11.283 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.734 -12.571 2.651 1.00 0.00 H new ATOM 117 N CYS A 11 -3.631 -14.040 4.448 1.00 0.00 N ATOM 118 CA CYS A 11 -4.321 -14.607 5.601 1.00 0.00 C ATOM 119 C CYS A 11 -5.088 -15.868 5.211 1.00 0.00 C ATOM 120 O CYS A 11 -5.949 -16.339 5.954 1.00 0.00 O ATOM 121 CB CYS A 11 -5.281 -13.580 6.204 1.00 0.00 C ATOM 122 SG CYS A 11 -6.695 -13.166 5.134 1.00 0.00 S ATOM 0 H CYS A 11 -4.236 -13.532 3.803 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.571 -14.874 6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.657 -13.963 7.153 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.727 -12.668 6.426 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.284 -13.020 3.909 1.00 0.00 H new ATOM 127 N LEU A 12 -4.768 -16.409 4.040 1.00 0.00 N ATOM 128 CA LEU A 12 -5.426 -17.615 3.550 1.00 0.00 C ATOM 129 C LEU A 12 -6.889 -17.651 3.980 1.00 0.00 C ATOM 130 O LEU A 12 -7.450 -18.720 4.220 1.00 0.00 O ATOM 131 CB LEU A 12 -4.700 -18.860 4.064 1.00 0.00 C ATOM 132 CG LEU A 12 -4.706 -20.073 3.132 1.00 0.00 C ATOM 133 CD1 LEU A 12 -4.011 -19.742 1.820 1.00 0.00 C ATOM 134 CD2 LEU A 12 -4.043 -21.265 3.805 1.00 0.00 C ATOM 0 H LEU A 12 -4.057 -16.032 3.413 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.388 -17.603 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.664 -18.592 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.150 -19.153 5.012 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.741 -20.335 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.025 -20.617 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.531 -18.918 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.979 -19.454 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.056 -22.119 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.012 -21.015 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.585 -21.516 4.716 1.00 0.00 H new ATOM 146 N GLY A 13 -7.502 -16.474 4.074 1.00 0.00 N ATOM 147 CA GLY A 13 -8.894 -16.394 4.473 1.00 0.00 C ATOM 148 C GLY A 13 -9.839 -16.420 3.288 1.00 0.00 C ATOM 149 O GLY A 13 -9.545 -15.848 2.240 1.00 0.00 O ATOM 0 H GLY A 13 -7.059 -15.576 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.127 -17.226 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.054 -15.478 5.041 1.00 0.00 H new ATOM 153 N GLU A 14 -10.977 -17.086 3.455 1.00 0.00 N ATOM 154 CA GLU A 14 -11.968 -17.186 2.389 1.00 0.00 C ATOM 155 C GLU A 14 -12.827 -15.927 2.325 1.00 0.00 C ATOM 156 O GLU A 14 -13.613 -15.652 3.233 1.00 0.00 O ATOM 157 CB GLU A 14 -12.855 -18.414 2.600 1.00 0.00 C ATOM 158 CG GLU A 14 -12.238 -19.706 2.092 1.00 0.00 C ATOM 159 CD GLU A 14 -11.320 -20.354 3.109 1.00 0.00 C ATOM 160 OE1 GLU A 14 -10.153 -19.919 3.217 1.00 0.00 O ATOM 161 OE2 GLU A 14 -11.767 -21.295 3.798 1.00 0.00 O ATOM 0 H GLU A 14 -11.236 -17.564 4.318 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.437 -17.290 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.070 -18.518 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.808 -18.254 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.032 -20.404 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.677 -19.502 1.180 1.00 0.00 H new ATOM 168 N TYR A 15 -12.673 -15.166 1.248 1.00 0.00 N ATOM 169 CA TYR A 15 -13.432 -13.935 1.067 1.00 0.00 C ATOM 170 C TYR A 15 -14.007 -13.852 -0.344 1.00 0.00 C ATOM 171 O TYR A 15 -13.459 -14.401 -1.300 1.00 0.00 O ATOM 172 CB TYR A 15 -12.546 -12.718 1.341 1.00 0.00 C ATOM 173 CG TYR A 15 -11.720 -12.843 2.602 1.00 0.00 C ATOM 174 CD1 TYR A 15 -12.212 -12.404 3.824 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.449 -13.401 2.569 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.461 -12.516 4.978 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.690 -13.517 3.718 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.200 -13.073 4.920 1.00 0.00 C ATOM 179 OH TYR A 15 -9.449 -13.186 6.067 1.00 0.00 O ATOM 0 H TYR A 15 -12.029 -15.380 0.487 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.259 -13.941 1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.878 -12.566 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.174 -11.830 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.199 -11.968 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.047 -13.750 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.859 -12.169 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.703 -13.953 3.675 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.563 -13.541 5.844 1.00 0.00 H new ATOM 189 N PRO A 16 -15.141 -13.146 -0.479 1.00 0.00 N ATOM 190 CA PRO A 16 -15.815 -12.973 -1.770 1.00 0.00 C ATOM 191 C PRO A 16 -15.029 -12.076 -2.719 1.00 0.00 C ATOM 192 O PRO A 16 -14.744 -10.920 -2.405 1.00 0.00 O ATOM 193 CB PRO A 16 -17.143 -12.313 -1.389 1.00 0.00 C ATOM 194 CG PRO A 16 -16.866 -11.619 -0.100 1.00 0.00 C ATOM 195 CD PRO A 16 -15.850 -12.465 0.616 1.00 0.00 C ATOM 0 HA PRO A 16 -15.928 -13.918 -2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.469 -11.610 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.935 -13.053 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.484 -10.613 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.776 -11.517 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.173 -11.858 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.324 -13.177 1.292 1.00 0.00 H new ATOM 203 N VAL A 17 -14.678 -12.616 -3.881 1.00 0.00 N ATOM 204 CA VAL A 17 -13.925 -11.864 -4.878 1.00 0.00 C ATOM 205 C VAL A 17 -14.332 -10.395 -4.881 1.00 0.00 C ATOM 206 O VAL A 17 -13.516 -9.516 -5.157 1.00 0.00 O ATOM 207 CB VAL A 17 -14.128 -12.444 -6.290 1.00 0.00 C ATOM 208 CG1 VAL A 17 -15.360 -11.838 -6.945 1.00 0.00 C ATOM 209 CG2 VAL A 17 -12.891 -12.211 -7.145 1.00 0.00 C ATOM 0 H VAL A 17 -14.903 -13.572 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.872 -11.946 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.284 -13.519 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.487 -12.260 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.240 -12.061 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.237 -10.758 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.052 -12.627 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.701 -11.141 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.032 -12.698 -6.683 1.00 0.00 H new ATOM 219 N GLU A 18 -15.599 -10.136 -4.570 1.00 0.00 N ATOM 220 CA GLU A 18 -16.113 -8.773 -4.537 1.00 0.00 C ATOM 221 C GLU A 18 -15.225 -7.877 -3.677 1.00 0.00 C ATOM 222 O GLU A 18 -14.750 -6.838 -4.132 1.00 0.00 O ATOM 223 CB GLU A 18 -17.546 -8.757 -3.999 1.00 0.00 C ATOM 224 CG GLU A 18 -18.540 -9.478 -4.895 1.00 0.00 C ATOM 225 CD GLU A 18 -18.777 -8.751 -6.205 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.321 -7.628 -6.170 1.00 0.00 O ATOM 227 OE2 GLU A 18 -18.417 -9.306 -7.264 1.00 0.00 O ATOM 0 H GLU A 18 -16.287 -10.852 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.111 -8.387 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.560 -9.217 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.867 -7.723 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.174 -10.483 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.487 -9.586 -4.367 1.00 0.00 H new ATOM 234 N GLN A 19 -15.010 -8.288 -2.431 1.00 0.00 N ATOM 235 CA GLN A 19 -14.181 -7.523 -1.507 1.00 0.00 C ATOM 236 C GLN A 19 -12.719 -7.547 -1.940 1.00 0.00 C ATOM 237 O GLN A 19 -12.018 -6.540 -1.844 1.00 0.00 O ATOM 238 CB GLN A 19 -14.316 -8.079 -0.088 1.00 0.00 C ATOM 239 CG GLN A 19 -15.527 -7.549 0.661 1.00 0.00 C ATOM 240 CD GLN A 19 -16.800 -7.625 -0.159 1.00 0.00 C ATOM 241 OE1 GLN A 19 -17.012 -6.826 -1.072 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.657 -8.587 0.164 1.00 0.00 N ATOM 0 H GLN A 19 -15.398 -9.146 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.526 -6.489 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.377 -9.166 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.415 -7.835 0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.658 -8.118 1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.346 -6.513 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.441 -9.227 0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.531 -8.685 -0.352 1.00 0.00 H new ATOM 251 N MET A 20 -12.267 -8.702 -2.414 1.00 0.00 N ATOM 252 CA MET A 20 -10.887 -8.855 -2.862 1.00 0.00 C ATOM 253 C MET A 20 -10.532 -7.797 -3.902 1.00 0.00 C ATOM 254 O MET A 20 -11.410 -7.128 -4.447 1.00 0.00 O ATOM 255 CB MET A 20 -10.671 -10.253 -3.446 1.00 0.00 C ATOM 256 CG MET A 20 -11.036 -11.375 -2.489 1.00 0.00 C ATOM 257 SD MET A 20 -9.758 -11.677 -1.252 1.00 0.00 S ATOM 258 CE MET A 20 -8.743 -12.883 -2.102 1.00 0.00 C ATOM 0 H MET A 20 -12.834 -9.545 -2.498 1.00 0.00 H new ATOM 0 HA MET A 20 -10.234 -8.724 -1.999 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.265 -10.354 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.625 -10.359 -3.735 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.971 -11.129 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.210 -12.289 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.826 -13.847 -1.600 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.081 -12.981 -3.134 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.703 -12.556 -2.090 1.00 0.00 H new ATOM 268 N THR A 21 -9.238 -7.650 -4.171 1.00 0.00 N ATOM 269 CA THR A 21 -8.767 -6.671 -5.143 1.00 0.00 C ATOM 270 C THR A 21 -7.747 -7.288 -6.093 1.00 0.00 C ATOM 271 O THR A 21 -6.597 -7.522 -5.720 1.00 0.00 O ATOM 272 CB THR A 21 -8.133 -5.450 -4.449 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.107 -4.793 -3.630 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.580 -4.472 -5.475 1.00 0.00 C ATOM 0 H THR A 21 -8.498 -8.196 -3.730 1.00 0.00 H new ATOM 0 HA THR A 21 -9.638 -6.344 -5.711 1.00 0.00 H new ATOM 0 HB THR A 21 -7.311 -5.799 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.697 -4.019 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.137 -3.618 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.819 -4.968 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.387 -4.128 -6.122 1.00 0.00 H new ATOM 282 N THR A 22 -8.174 -7.549 -7.325 1.00 0.00 N ATOM 283 CA THR A 22 -7.298 -8.138 -8.328 1.00 0.00 C ATOM 284 C THR A 22 -6.397 -7.083 -8.961 1.00 0.00 C ATOM 285 O THR A 22 -6.879 -6.108 -9.538 1.00 0.00 O ATOM 286 CB THR A 22 -8.105 -8.839 -9.438 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.888 -9.900 -8.879 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.182 -9.394 -10.511 1.00 0.00 C ATOM 0 H THR A 22 -9.122 -7.361 -7.651 1.00 0.00 H new ATOM 0 HA THR A 22 -6.683 -8.876 -7.814 1.00 0.00 H new ATOM 0 HB THR A 22 -8.766 -8.103 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.399 -10.339 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.775 -9.884 -11.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.609 -8.580 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.499 -10.117 -10.065 1.00 0.00 H new ATOM 296 N ILE A 23 -5.089 -7.285 -8.848 1.00 0.00 N ATOM 297 CA ILE A 23 -4.121 -6.351 -9.411 1.00 0.00 C ATOM 298 C ILE A 23 -3.986 -6.541 -10.917 1.00 0.00 C ATOM 299 O ILE A 23 -3.897 -7.666 -11.407 1.00 0.00 O ATOM 300 CB ILE A 23 -2.736 -6.514 -8.758 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.861 -6.496 -7.233 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.794 -5.417 -9.232 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.769 -7.269 -6.528 1.00 0.00 C ATOM 0 H ILE A 23 -4.675 -8.086 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.494 -5.348 -9.206 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.321 -7.476 -9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.844 -5.462 -6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.829 -6.911 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.819 -5.546 -8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.685 -5.474 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.202 -4.444 -8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.921 -7.213 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.799 -8.312 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.799 -6.841 -6.780 1.00 0.00 H new ATOM 315 N ALA A 24 -3.970 -5.432 -11.649 1.00 0.00 N ATOM 316 CA ALA A 24 -3.842 -5.475 -13.100 1.00 0.00 C ATOM 317 C ALA A 24 -2.379 -5.405 -13.525 1.00 0.00 C ATOM 318 O ALA A 24 -2.065 -4.973 -14.633 1.00 0.00 O ATOM 319 CB ALA A 24 -4.632 -4.339 -13.734 1.00 0.00 C ATOM 0 H ALA A 24 -4.044 -4.492 -11.260 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.249 -6.425 -13.447 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.527 -4.384 -14.818 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.684 -4.434 -13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.251 -3.384 -13.372 1.00 0.00 H new ATOM 325 N GLN A 25 -1.489 -5.833 -12.636 1.00 0.00 N ATOM 326 CA GLN A 25 -0.059 -5.819 -12.919 1.00 0.00 C ATOM 327 C GLN A 25 0.517 -7.230 -12.890 1.00 0.00 C ATOM 328 O GLN A 25 1.259 -7.628 -13.789 1.00 0.00 O ATOM 329 CB GLN A 25 0.673 -4.936 -11.906 1.00 0.00 C ATOM 330 CG GLN A 25 0.694 -3.463 -12.286 1.00 0.00 C ATOM 331 CD GLN A 25 1.469 -3.200 -13.560 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.391 -3.940 -13.905 1.00 0.00 O ATOM 333 NE2 GLN A 25 1.100 -2.140 -14.270 1.00 0.00 N ATOM 0 H GLN A 25 -1.733 -6.194 -11.714 1.00 0.00 H new ATOM 0 HA GLN A 25 0.084 -5.410 -13.919 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.197 -5.045 -10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.698 -5.290 -11.802 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.330 -3.109 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.135 -2.888 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.330 -1.553 -13.948 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.586 -1.913 -15.137 1.00 0.00 H new ATOM 342 N CYS A 26 0.171 -7.984 -11.852 1.00 0.00 N ATOM 343 CA CYS A 26 0.654 -9.352 -11.705 1.00 0.00 C ATOM 344 C CYS A 26 -0.504 -10.313 -11.448 1.00 0.00 C ATOM 345 O CYS A 26 -0.328 -11.357 -10.823 1.00 0.00 O ATOM 346 CB CYS A 26 1.665 -9.438 -10.561 1.00 0.00 C ATOM 347 SG CYS A 26 1.042 -8.809 -8.968 1.00 0.00 S ATOM 0 H CYS A 26 -0.442 -7.671 -11.100 1.00 0.00 H new ATOM 0 HA CYS A 26 1.143 -9.640 -12.636 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.968 -10.478 -10.435 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.558 -8.877 -10.837 1.00 0.00 H new ATOM 0 HG CYS A 26 0.764 -9.809 -8.185 1.00 0.00 H new ATOM 352 N GLN A 27 -1.686 -9.950 -11.936 1.00 0.00 N ATOM 353 CA GLN A 27 -2.872 -10.779 -11.758 1.00 0.00 C ATOM 354 C GLN A 27 -2.868 -11.450 -10.389 1.00 0.00 C ATOM 355 O GLN A 27 -3.066 -12.659 -10.277 1.00 0.00 O ATOM 356 CB GLN A 27 -2.948 -11.839 -12.858 1.00 0.00 C ATOM 357 CG GLN A 27 -3.485 -11.310 -14.178 1.00 0.00 C ATOM 358 CD GLN A 27 -2.767 -10.056 -14.638 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.806 -10.123 -15.405 1.00 0.00 O ATOM 360 NE2 GLN A 27 -3.234 -8.903 -14.173 1.00 0.00 N ATOM 0 H GLN A 27 -1.848 -9.088 -12.457 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.748 -10.134 -11.823 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.953 -12.254 -13.020 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.583 -12.657 -12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.387 -12.082 -14.942 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.549 -11.098 -14.074 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.033 -8.895 -13.539 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.794 -8.026 -14.450 1.00 0.00 H new ATOM 369 N CYS A 28 -2.640 -10.656 -9.347 1.00 0.00 N ATOM 370 CA CYS A 28 -2.609 -11.172 -7.984 1.00 0.00 C ATOM 371 C CYS A 28 -3.796 -10.651 -7.179 1.00 0.00 C ATOM 372 O CYS A 28 -3.989 -9.442 -7.048 1.00 0.00 O ATOM 373 CB CYS A 28 -1.300 -10.776 -7.297 1.00 0.00 C ATOM 374 SG CYS A 28 0.153 -11.713 -7.872 1.00 0.00 S ATOM 0 H CYS A 28 -2.474 -9.652 -9.421 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.673 -12.259 -8.031 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.122 -9.713 -7.462 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.409 -10.918 -6.222 1.00 0.00 H new ATOM 0 HG CYS A 28 0.193 -11.697 -9.171 1.00 0.00 H new ATOM 379 N ILE A 29 -4.588 -11.573 -6.640 1.00 0.00 N ATOM 380 CA ILE A 29 -5.754 -11.207 -5.847 1.00 0.00 C ATOM 381 C ILE A 29 -5.414 -11.153 -4.361 1.00 0.00 C ATOM 382 O ILE A 29 -4.655 -11.982 -3.857 1.00 0.00 O ATOM 383 CB ILE A 29 -6.913 -12.198 -6.061 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.207 -11.640 -5.464 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.578 -13.547 -5.443 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.457 -12.288 -6.018 1.00 0.00 C ATOM 0 H ILE A 29 -4.443 -12.578 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.066 -10.218 -6.182 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.059 -12.337 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.186 -11.775 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.251 -10.567 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.407 -14.236 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.678 -13.948 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.408 -13.425 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.335 -11.843 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.501 -12.131 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.436 -13.357 -5.808 1.00 0.00 H new ATOM 398 N PHE A 30 -5.981 -10.175 -3.665 1.00 0.00 N ATOM 399 CA PHE A 30 -5.739 -10.013 -2.236 1.00 0.00 C ATOM 400 C PHE A 30 -6.920 -9.325 -1.558 1.00 0.00 C ATOM 401 O PHE A 30 -7.495 -8.378 -2.097 1.00 0.00 O ATOM 402 CB PHE A 30 -4.461 -9.205 -2.002 1.00 0.00 C ATOM 403 CG PHE A 30 -3.244 -9.810 -2.639 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.780 -11.052 -2.236 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.563 -9.138 -3.641 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.660 -11.613 -2.821 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.443 -9.693 -4.230 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.989 -10.932 -3.819 1.00 0.00 C ATOM 0 H PHE A 30 -6.612 -9.482 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.619 -11.004 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.602 -8.197 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.291 -9.111 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.300 -11.588 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.912 -8.169 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.310 -12.582 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.923 -9.159 -5.011 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.113 -11.367 -4.276 1.00 0.00 H new ATOM 418 N CYS A 31 -7.279 -9.809 -0.374 1.00 0.00 N ATOM 419 CA CYS A 31 -8.392 -9.243 0.379 1.00 0.00 C ATOM 420 C CYS A 31 -8.075 -7.821 0.833 1.00 0.00 C ATOM 421 O CYS A 31 -7.001 -7.554 1.373 1.00 0.00 O ATOM 422 CB CYS A 31 -8.711 -10.118 1.592 1.00 0.00 C ATOM 423 SG CYS A 31 -7.526 -9.947 2.965 1.00 0.00 S ATOM 0 H CYS A 31 -6.815 -10.593 0.085 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.262 -9.210 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.708 -9.869 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.738 -11.161 1.277 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.354 -10.359 2.581 1.00 0.00 H new ATOM 428 N THR A 32 -9.018 -6.910 0.610 1.00 0.00 N ATOM 429 CA THR A 32 -8.839 -5.516 0.995 1.00 0.00 C ATOM 430 C THR A 32 -8.052 -5.400 2.293 1.00 0.00 C ATOM 431 O THR A 32 -6.934 -4.881 2.310 1.00 0.00 O ATOM 432 CB THR A 32 -10.195 -4.802 1.163 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.915 -4.820 -0.073 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.995 -3.365 1.621 1.00 0.00 C ATOM 0 H THR A 32 -9.913 -7.113 0.165 1.00 0.00 H new ATOM 0 HA THR A 32 -8.280 -5.036 0.192 1.00 0.00 H new ATOM 0 HB THR A 32 -10.769 -5.332 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.212 -5.734 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.965 -2.880 1.733 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.473 -3.357 2.578 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.404 -2.826 0.881 1.00 0.00 H new ATOM 442 N LEU A 33 -8.638 -5.887 3.381 1.00 0.00 N ATOM 443 CA LEU A 33 -7.989 -5.840 4.687 1.00 0.00 C ATOM 444 C LEU A 33 -6.475 -5.958 4.548 1.00 0.00 C ATOM 445 O LEU A 33 -5.739 -5.009 4.823 1.00 0.00 O ATOM 446 CB LEU A 33 -8.519 -6.960 5.583 1.00 0.00 C ATOM 447 CG LEU A 33 -9.898 -6.729 6.202 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.849 -5.582 7.201 1.00 0.00 C ATOM 449 CD2 LEU A 33 -10.930 -6.452 5.119 1.00 0.00 C ATOM 0 H LEU A 33 -9.562 -6.319 3.385 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.219 -4.878 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.555 -7.879 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.804 -7.122 6.389 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.193 -7.634 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.839 -5.432 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.141 -5.821 7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.532 -4.671 6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.905 -6.290 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.640 -5.563 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.985 -7.305 4.442 1.00 0.00 H new ATOM 461 N CYS A 34 -6.015 -7.128 4.116 1.00 0.00 N ATOM 462 CA CYS A 34 -4.588 -7.370 3.938 1.00 0.00 C ATOM 463 C CYS A 34 -3.937 -6.232 3.156 1.00 0.00 C ATOM 464 O CYS A 34 -3.118 -5.485 3.694 1.00 0.00 O ATOM 465 CB CYS A 34 -4.363 -8.697 3.211 1.00 0.00 C ATOM 466 SG CYS A 34 -4.597 -10.168 4.259 1.00 0.00 S ATOM 0 H CYS A 34 -6.610 -7.923 3.883 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.126 -7.420 4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.046 -8.755 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.351 -8.710 2.806 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.850 -10.514 4.247 1.00 0.00 H new ATOM 471 N LEU A 35 -4.306 -6.107 1.886 1.00 0.00 N ATOM 472 CA LEU A 35 -3.758 -5.060 1.030 1.00 0.00 C ATOM 473 C LEU A 35 -3.628 -3.745 1.793 1.00 0.00 C ATOM 474 O LEU A 35 -2.618 -3.050 1.684 1.00 0.00 O ATOM 475 CB LEU A 35 -4.647 -4.864 -0.200 1.00 0.00 C ATOM 476 CG LEU A 35 -4.250 -5.655 -1.447 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.328 -5.545 -2.514 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.912 -5.166 -1.986 1.00 0.00 C ATOM 0 H LEU A 35 -4.982 -6.717 1.426 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.764 -5.371 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.668 -5.135 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.654 -3.804 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.146 -6.704 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.028 -6.114 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.266 -5.943 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.464 -4.499 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.645 -5.740 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.989 -4.110 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.143 -5.297 -1.225 1.00 0.00 H new ATOM 490 N LYS A 36 -4.656 -3.412 2.566 1.00 0.00 N ATOM 491 CA LYS A 36 -4.655 -2.183 3.350 1.00 0.00 C ATOM 492 C LYS A 36 -3.466 -2.145 4.303 1.00 0.00 C ATOM 493 O LYS A 36 -2.598 -1.279 4.192 1.00 0.00 O ATOM 494 CB LYS A 36 -5.960 -2.058 4.141 1.00 0.00 C ATOM 495 CG LYS A 36 -6.117 -0.724 4.849 1.00 0.00 C ATOM 496 CD LYS A 36 -7.050 -0.833 6.044 1.00 0.00 C ATOM 497 CE LYS A 36 -7.404 0.537 6.602 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.645 0.497 7.423 1.00 0.00 N ATOM 0 H LYS A 36 -5.500 -3.976 2.666 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.572 -1.343 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.801 -2.201 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.006 -2.859 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.141 -0.369 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.505 0.017 4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.961 -1.353 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.578 -1.433 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.578 0.906 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.535 1.241 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.853 1.450 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.439 0.169 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.512 -0.156 8.222 1.00 0.00 H new ATOM 512 N GLN A 37 -3.432 -3.090 5.238 1.00 0.00 N ATOM 513 CA GLN A 37 -2.347 -3.164 6.210 1.00 0.00 C ATOM 514 C GLN A 37 -0.994 -3.229 5.510 1.00 0.00 C ATOM 515 O GLN A 37 -0.018 -2.631 5.965 1.00 0.00 O ATOM 516 CB GLN A 37 -2.527 -4.384 7.114 1.00 0.00 C ATOM 517 CG GLN A 37 -3.420 -4.125 8.317 1.00 0.00 C ATOM 518 CD GLN A 37 -3.717 -5.384 9.106 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.854 -5.907 9.810 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.944 -5.878 8.992 1.00 0.00 N ATOM 0 H GLN A 37 -4.143 -3.814 5.343 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.376 -2.262 6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.949 -5.201 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.549 -4.714 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.940 -3.396 8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.357 -3.683 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.628 -5.411 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.202 -6.724 9.500 1.00 0.00 H new ATOM 529 N TYR A 38 -0.941 -3.960 4.402 1.00 0.00 N ATOM 530 CA TYR A 38 0.294 -4.106 3.641 1.00 0.00 C ATOM 531 C TYR A 38 0.822 -2.746 3.192 1.00 0.00 C ATOM 532 O TYR A 38 1.829 -2.258 3.706 1.00 0.00 O ATOM 533 CB TYR A 38 0.065 -5.003 2.424 1.00 0.00 C ATOM 534 CG TYR A 38 1.242 -5.051 1.476 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.430 -5.673 1.843 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.168 -4.474 0.215 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.508 -5.718 0.982 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.241 -4.517 -0.654 1.00 0.00 C ATOM 539 CZ TYR A 38 3.409 -5.139 -0.267 1.00 0.00 C ATOM 540 OH TYR A 38 4.480 -5.181 -1.129 1.00 0.00 O ATOM 0 H TYR A 38 -1.739 -4.461 4.011 1.00 0.00 H new ATOM 0 HA TYR A 38 1.038 -4.568 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.157 -6.014 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.812 -4.649 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.511 -6.129 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.256 -3.983 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.424 -6.204 1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.165 -4.065 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 38 4.383 -4.479 -1.806 1.00 0.00 H new ATOM 550 N VAL A 39 0.133 -2.139 2.230 1.00 0.00 N ATOM 551 CA VAL A 39 0.530 -0.835 1.713 1.00 0.00 C ATOM 552 C VAL A 39 0.728 0.168 2.843 1.00 0.00 C ATOM 553 O VAL A 39 1.465 1.142 2.698 1.00 0.00 O ATOM 554 CB VAL A 39 -0.516 -0.281 0.727 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.836 -1.310 -0.347 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.778 0.136 1.468 1.00 0.00 C ATOM 0 H VAL A 39 -0.702 -2.530 1.794 1.00 0.00 H new ATOM 0 HA VAL A 39 1.475 -0.977 1.188 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.099 0.600 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.577 -0.901 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.072 -1.556 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.233 -2.211 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.506 0.525 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.199 -0.727 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.534 0.909 2.196 1.00 0.00 H new ATOM 566 N GLU A 40 0.064 -0.078 3.969 1.00 0.00 N ATOM 567 CA GLU A 40 0.169 0.804 5.124 1.00 0.00 C ATOM 568 C GLU A 40 1.525 0.651 5.807 1.00 0.00 C ATOM 569 O GLU A 40 2.271 1.619 5.957 1.00 0.00 O ATOM 570 CB GLU A 40 -0.953 0.509 6.122 1.00 0.00 C ATOM 571 CG GLU A 40 -2.198 1.355 5.908 1.00 0.00 C ATOM 572 CD GLU A 40 -3.165 1.275 7.072 1.00 0.00 C ATOM 573 OE1 GLU A 40 -2.715 0.975 8.198 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.372 1.511 6.859 1.00 0.00 O ATOM 0 H GLU A 40 -0.551 -0.880 4.105 1.00 0.00 H new ATOM 0 HA GLU A 40 0.074 1.831 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.223 -0.544 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.581 0.675 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.905 2.394 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.702 1.029 4.998 1.00 0.00 H new ATOM 581 N LEU A 41 1.837 -0.573 6.219 1.00 0.00 N ATOM 582 CA LEU A 41 3.104 -0.856 6.886 1.00 0.00 C ATOM 583 C LEU A 41 4.281 -0.374 6.045 1.00 0.00 C ATOM 584 O LEU A 41 5.278 0.118 6.577 1.00 0.00 O ATOM 585 CB LEU A 41 3.235 -2.355 7.158 1.00 0.00 C ATOM 586 CG LEU A 41 2.243 -2.945 8.161 1.00 0.00 C ATOM 587 CD1 LEU A 41 2.835 -4.169 8.842 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.841 -1.901 9.192 1.00 0.00 C ATOM 0 H LEU A 41 1.231 -1.385 6.103 1.00 0.00 H new ATOM 0 HA LEU A 41 3.116 -0.319 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.124 -2.886 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.245 -2.552 7.518 1.00 0.00 H new ATOM 0 HG LEU A 41 1.349 -3.254 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.114 -4.575 9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.070 -4.924 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.745 -3.887 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.135 -2.339 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.726 -1.560 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.374 -1.054 8.689 1.00 0.00 H new ATOM 600 N LEU A 42 4.160 -0.517 4.730 1.00 0.00 N ATOM 601 CA LEU A 42 5.214 -0.095 3.815 1.00 0.00 C ATOM 602 C LEU A 42 5.332 1.427 3.784 1.00 0.00 C ATOM 603 O LEU A 42 6.407 1.980 4.019 1.00 0.00 O ATOM 604 CB LEU A 42 4.936 -0.623 2.406 1.00 0.00 C ATOM 605 CG LEU A 42 5.523 -1.996 2.078 1.00 0.00 C ATOM 606 CD1 LEU A 42 5.013 -2.487 0.732 1.00 0.00 C ATOM 607 CD2 LEU A 42 7.045 -1.942 2.086 1.00 0.00 C ATOM 0 H LEU A 42 3.343 -0.922 4.274 1.00 0.00 H new ATOM 0 HA LEU A 42 6.157 -0.508 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.856 -0.667 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.324 0.098 1.686 1.00 0.00 H new ATOM 0 HG LEU A 42 5.200 -2.700 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.442 -3.466 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.926 -2.565 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.305 -1.783 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.445 -2.928 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.388 -1.224 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.393 -1.635 3.072 1.00 0.00 H new ATOM 619 N ILE A 43 4.220 2.095 3.498 1.00 0.00 N ATOM 620 CA ILE A 43 4.199 3.551 3.440 1.00 0.00 C ATOM 621 C ILE A 43 4.817 4.160 4.695 1.00 0.00 C ATOM 622 O ILE A 43 5.746 4.965 4.615 1.00 0.00 O ATOM 623 CB ILE A 43 2.765 4.087 3.277 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.183 3.652 1.930 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.747 5.603 3.403 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.679 3.498 1.941 1.00 0.00 C ATOM 0 H ILE A 43 3.322 1.652 3.303 1.00 0.00 H new ATOM 0 HA ILE A 43 4.788 3.841 2.570 1.00 0.00 H new ATOM 0 HB ILE A 43 2.146 3.669 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.459 4.384 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.635 2.704 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.726 5.966 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.124 5.891 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.379 6.040 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.338 3.188 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.396 2.744 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.218 4.450 2.202 1.00 0.00 H new ATOM 638 N LYS A 44 4.298 3.769 5.854 1.00 0.00 N ATOM 639 CA LYS A 44 4.799 4.273 7.126 1.00 0.00 C ATOM 640 C LYS A 44 6.324 4.270 7.149 1.00 0.00 C ATOM 641 O LYS A 44 6.948 5.214 7.633 1.00 0.00 O ATOM 642 CB LYS A 44 4.259 3.427 8.281 1.00 0.00 C ATOM 643 CG LYS A 44 2.770 3.603 8.522 1.00 0.00 C ATOM 644 CD LYS A 44 2.284 2.737 9.672 1.00 0.00 C ATOM 645 CE LYS A 44 2.436 3.447 11.008 1.00 0.00 C ATOM 646 NZ LYS A 44 3.769 3.196 11.620 1.00 0.00 N ATOM 0 H LYS A 44 3.529 3.104 5.938 1.00 0.00 H new ATOM 0 HA LYS A 44 4.453 5.300 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.463 2.376 8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.799 3.685 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.557 4.650 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.221 3.347 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.238 2.476 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.847 1.804 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.297 4.519 10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.654 3.111 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.652 2.976 12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.225 2.393 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.363 4.043 11.517 1.00 0.00 H new ATOM 660 N GLU A 45 6.918 3.204 6.621 1.00 0.00 N ATOM 661 CA GLU A 45 8.370 3.081 6.580 1.00 0.00 C ATOM 662 C GLU A 45 8.991 4.218 5.775 1.00 0.00 C ATOM 663 O GLU A 45 9.810 4.981 6.285 1.00 0.00 O ATOM 664 CB GLU A 45 8.773 1.734 5.977 1.00 0.00 C ATOM 665 CG GLU A 45 10.252 1.417 6.129 1.00 0.00 C ATOM 666 CD GLU A 45 10.638 1.107 7.562 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.409 1.966 8.438 1.00 0.00 O ATOM 668 OE2 GLU A 45 11.169 0.004 7.807 1.00 0.00 O ATOM 0 H GLU A 45 6.416 2.414 6.216 1.00 0.00 H new ATOM 0 HA GLU A 45 8.742 3.139 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.190 0.944 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.516 1.728 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.504 0.566 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.840 2.263 5.773 1.00 0.00 H new ATOM 675 N GLY A 46 8.594 4.324 4.510 1.00 0.00 N ATOM 676 CA GLY A 46 9.122 5.370 3.652 1.00 0.00 C ATOM 677 C GLY A 46 10.413 4.965 2.972 1.00 0.00 C ATOM 678 O GLY A 46 11.316 5.784 2.798 1.00 0.00 O ATOM 0 H GLY A 46 7.917 3.705 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.380 5.623 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.293 6.269 4.244 1.00 0.00 H new ATOM 682 N LEU A 47 10.504 3.696 2.586 1.00 0.00 N ATOM 683 CA LEU A 47 11.697 3.183 1.922 1.00 0.00 C ATOM 684 C LEU A 47 11.454 3.007 0.426 1.00 0.00 C ATOM 685 O LEU A 47 12.086 3.669 -0.397 1.00 0.00 O ATOM 686 CB LEU A 47 12.116 1.849 2.541 1.00 0.00 C ATOM 687 CG LEU A 47 13.201 1.072 1.794 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.470 1.903 1.684 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.486 -0.250 2.491 1.00 0.00 C ATOM 0 H LEU A 47 9.766 3.005 2.722 1.00 0.00 H new ATOM 0 HA LEU A 47 12.499 3.908 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.466 2.037 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.233 1.215 2.620 1.00 0.00 H new ATOM 0 HG LEU A 47 12.841 0.858 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.232 1.335 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.256 2.824 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.833 2.147 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.260 -0.789 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.825 -0.059 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.577 -0.850 2.518 1.00 0.00 H new ATOM 701 N GLU A 48 10.532 2.112 0.082 1.00 0.00 N ATOM 702 CA GLU A 48 10.205 1.851 -1.315 1.00 0.00 C ATOM 703 C GLU A 48 8.995 2.672 -1.752 1.00 0.00 C ATOM 704 O GLU A 48 7.850 2.249 -1.586 1.00 0.00 O ATOM 705 CB GLU A 48 9.929 0.361 -1.527 1.00 0.00 C ATOM 706 CG GLU A 48 9.638 -0.003 -2.973 1.00 0.00 C ATOM 707 CD GLU A 48 10.898 -0.202 -3.791 1.00 0.00 C ATOM 708 OE1 GLU A 48 11.387 0.787 -4.377 1.00 0.00 O ATOM 709 OE2 GLU A 48 11.397 -1.345 -3.845 1.00 0.00 O ATOM 0 H GLU A 48 9.999 1.556 0.751 1.00 0.00 H new ATOM 0 HA GLU A 48 11.060 2.144 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.790 -0.212 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.081 0.065 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.044 -0.916 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.035 0.784 -3.427 1.00 0.00 H new ATOM 716 N THR A 49 9.257 3.849 -2.312 1.00 0.00 N ATOM 717 CA THR A 49 8.191 4.730 -2.772 1.00 0.00 C ATOM 718 C THR A 49 7.086 3.941 -3.466 1.00 0.00 C ATOM 719 O THR A 49 5.907 4.273 -3.350 1.00 0.00 O ATOM 720 CB THR A 49 8.726 5.801 -3.742 1.00 0.00 C ATOM 721 OG1 THR A 49 9.581 5.196 -4.717 1.00 0.00 O ATOM 722 CG2 THR A 49 9.492 6.878 -2.988 1.00 0.00 C ATOM 0 H THR A 49 10.198 4.214 -2.458 1.00 0.00 H new ATOM 0 HA THR A 49 7.784 5.221 -1.888 1.00 0.00 H new ATOM 0 HB THR A 49 7.876 6.264 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.915 5.883 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.860 7.623 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.831 7.357 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.334 6.426 -2.464 1.00 0.00 H new ATOM 730 N ALA A 50 7.475 2.895 -4.186 1.00 0.00 N ATOM 731 CA ALA A 50 6.517 2.056 -4.896 1.00 0.00 C ATOM 732 C ALA A 50 6.080 0.874 -4.037 1.00 0.00 C ATOM 733 O ALA A 50 6.901 0.240 -3.375 1.00 0.00 O ATOM 734 CB ALA A 50 7.114 1.567 -6.207 1.00 0.00 C ATOM 0 H ALA A 50 8.448 2.608 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 50 5.635 2.658 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.388 0.942 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.369 2.423 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.013 0.986 -6.003 1.00 0.00 H new ATOM 740 N ILE A 51 4.783 0.585 -4.054 1.00 0.00 N ATOM 741 CA ILE A 51 4.238 -0.522 -3.277 1.00 0.00 C ATOM 742 C ILE A 51 4.290 -1.826 -4.066 1.00 0.00 C ATOM 743 O ILE A 51 3.418 -2.099 -4.889 1.00 0.00 O ATOM 744 CB ILE A 51 2.784 -0.248 -2.852 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.688 1.085 -2.107 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.261 -1.385 -1.987 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.234 1.028 -0.697 1.00 0.00 C ATOM 0 H ILE A 51 4.091 1.101 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 51 4.857 -0.617 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 51 2.166 -0.186 -3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.231 1.846 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.645 1.398 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.232 -1.176 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.296 -2.317 -2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.880 -1.478 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.134 2.007 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.676 0.291 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.286 0.745 -0.725 1.00 0.00 H new ATOM 759 N SER A 52 5.318 -2.627 -3.806 1.00 0.00 N ATOM 760 CA SER A 52 5.485 -3.903 -4.493 1.00 0.00 C ATOM 761 C SER A 52 4.360 -4.867 -4.129 1.00 0.00 C ATOM 762 O SER A 52 3.513 -4.563 -3.289 1.00 0.00 O ATOM 763 CB SER A 52 6.838 -4.523 -4.138 1.00 0.00 C ATOM 764 OG SER A 52 7.214 -5.503 -5.090 1.00 0.00 O ATOM 0 H SER A 52 6.048 -2.416 -3.125 1.00 0.00 H new ATOM 0 HA SER A 52 5.448 -3.718 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.599 -3.744 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.786 -4.975 -3.147 1.00 0.00 H new ATOM 0 HG SER A 52 8.083 -5.883 -4.842 1.00 0.00 H new ATOM 770 N CYS A 53 4.358 -6.032 -4.768 1.00 0.00 N ATOM 771 CA CYS A 53 3.339 -7.043 -4.515 1.00 0.00 C ATOM 772 C CYS A 53 3.461 -7.595 -3.098 1.00 0.00 C ATOM 773 O CYS A 53 4.553 -7.893 -2.613 1.00 0.00 O ATOM 774 CB CYS A 53 3.455 -8.181 -5.530 1.00 0.00 C ATOM 775 SG CYS A 53 2.217 -9.499 -5.315 1.00 0.00 S ATOM 0 H CYS A 53 5.052 -6.299 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 53 2.362 -6.572 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.360 -7.769 -6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.451 -8.618 -5.458 1.00 0.00 H new ATOM 0 HG CYS A 53 2.628 -10.581 -5.906 1.00 0.00 H new ATOM 780 N PRO A 54 2.314 -7.735 -2.416 1.00 0.00 N ATOM 781 CA PRO A 54 2.266 -8.254 -1.046 1.00 0.00 C ATOM 782 C PRO A 54 2.603 -9.738 -0.976 1.00 0.00 C ATOM 783 O PRO A 54 2.571 -10.341 0.097 1.00 0.00 O ATOM 784 CB PRO A 54 0.813 -8.015 -0.627 1.00 0.00 C ATOM 785 CG PRO A 54 0.049 -7.992 -1.906 1.00 0.00 C ATOM 786 CD PRO A 54 0.976 -7.399 -2.932 1.00 0.00 C ATOM 0 HA PRO A 54 2.996 -7.767 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.456 -8.806 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.707 -7.075 -0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.260 -8.997 -2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.858 -7.395 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.807 -7.826 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.839 -6.321 -3.023 1.00 0.00 H new ATOM 794 N ASP A 55 2.927 -10.322 -2.124 1.00 0.00 N ATOM 795 CA ASP A 55 3.272 -11.737 -2.193 1.00 0.00 C ATOM 796 C ASP A 55 4.784 -11.932 -2.131 1.00 0.00 C ATOM 797 O ASP A 55 5.549 -10.998 -2.368 1.00 0.00 O ATOM 798 CB ASP A 55 2.717 -12.358 -3.476 1.00 0.00 C ATOM 799 CG ASP A 55 2.381 -13.827 -3.309 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.313 -14.629 -3.092 1.00 0.00 O ATOM 801 OD2 ASP A 55 1.184 -14.174 -3.395 1.00 0.00 O ATOM 0 H ASP A 55 2.958 -9.837 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 55 2.824 -12.237 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.822 -11.816 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.447 -12.244 -4.277 1.00 0.00 H new ATOM 806 N ALA A 56 5.206 -13.150 -1.810 1.00 0.00 N ATOM 807 CA ALA A 56 6.626 -13.467 -1.719 1.00 0.00 C ATOM 808 C ALA A 56 7.061 -14.375 -2.863 1.00 0.00 C ATOM 809 O ALA A 56 8.243 -14.446 -3.197 1.00 0.00 O ATOM 810 CB ALA A 56 6.937 -14.118 -0.379 1.00 0.00 C ATOM 0 H ALA A 56 4.585 -13.934 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 56 7.186 -12.535 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.001 -14.349 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.673 -13.434 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.360 -15.037 -0.279 1.00 0.00 H new ATOM 816 N ALA A 57 6.097 -15.070 -3.461 1.00 0.00 N ATOM 817 CA ALA A 57 6.381 -15.972 -4.569 1.00 0.00 C ATOM 818 C ALA A 57 5.799 -15.440 -5.874 1.00 0.00 C ATOM 819 O ALA A 57 5.204 -16.187 -6.651 1.00 0.00 O ATOM 820 CB ALA A 57 5.834 -17.361 -4.272 1.00 0.00 C ATOM 0 H ALA A 57 5.113 -15.025 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 57 7.463 -16.036 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.053 -18.025 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.301 -17.750 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.755 -17.304 -4.127 1.00 0.00 H new ATOM 826 N CYS A 58 5.975 -14.144 -6.109 1.00 0.00 N ATOM 827 CA CYS A 58 5.466 -13.511 -7.320 1.00 0.00 C ATOM 828 C CYS A 58 6.594 -13.255 -8.316 1.00 0.00 C ATOM 829 O CYS A 58 7.373 -12.312 -8.180 1.00 0.00 O ATOM 830 CB CYS A 58 4.767 -12.194 -6.976 1.00 0.00 C ATOM 831 SG CYS A 58 3.885 -11.433 -8.377 1.00 0.00 S ATOM 0 H CYS A 58 6.466 -13.512 -5.477 1.00 0.00 H new ATOM 0 HA CYS A 58 4.746 -14.189 -7.779 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.058 -12.372 -6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.508 -11.489 -6.601 1.00 0.00 H new ATOM 0 HG CYS A 58 2.603 -11.538 -8.191 1.00 0.00 H new ATOM 836 N PRO A 59 6.683 -14.115 -9.341 1.00 0.00 N ATOM 837 CA PRO A 59 7.711 -14.004 -10.380 1.00 0.00 C ATOM 838 C PRO A 59 7.493 -12.796 -11.285 1.00 0.00 C ATOM 839 O PRO A 59 8.326 -12.486 -12.136 1.00 0.00 O ATOM 840 CB PRO A 59 7.553 -15.302 -11.175 1.00 0.00 C ATOM 841 CG PRO A 59 6.138 -15.712 -10.957 1.00 0.00 C ATOM 842 CD PRO A 59 5.787 -15.263 -9.565 1.00 0.00 C ATOM 0 HA PRO A 59 8.706 -13.866 -9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.761 -15.145 -12.233 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.245 -16.067 -10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.480 -15.251 -11.693 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.024 -16.791 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.738 -14.975 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.956 -16.053 -8.833 1.00 0.00 H new ATOM 850 N LYS A 60 6.366 -12.116 -11.095 1.00 0.00 N ATOM 851 CA LYS A 60 6.037 -10.940 -11.891 1.00 0.00 C ATOM 852 C LYS A 60 6.487 -9.663 -11.188 1.00 0.00 C ATOM 853 O LYS A 60 6.919 -8.709 -11.833 1.00 0.00 O ATOM 854 CB LYS A 60 4.532 -10.885 -12.160 1.00 0.00 C ATOM 855 CG LYS A 60 4.163 -10.079 -13.393 1.00 0.00 C ATOM 856 CD LYS A 60 4.059 -8.596 -13.078 1.00 0.00 C ATOM 857 CE LYS A 60 4.328 -7.743 -14.309 1.00 0.00 C ATOM 858 NZ LYS A 60 4.723 -6.355 -13.947 1.00 0.00 N ATOM 0 H LYS A 60 5.665 -12.360 -10.396 1.00 0.00 H new ATOM 0 HA LYS A 60 6.566 -11.016 -12.841 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.155 -11.901 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.032 -10.455 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.912 -10.236 -14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.213 -10.435 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.064 -8.374 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.771 -8.339 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.118 -8.202 -14.903 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.435 -7.715 -14.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.435 -6.010 -14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.887 -5.737 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.123 -6.347 -12.987 1.00 0.00 H new ATOM 872 N GLN A 61 6.382 -9.655 -9.863 1.00 0.00 N ATOM 873 CA GLN A 61 6.778 -8.495 -9.073 1.00 0.00 C ATOM 874 C GLN A 61 5.964 -7.267 -9.463 1.00 0.00 C ATOM 875 O GLN A 61 6.516 -6.193 -9.701 1.00 0.00 O ATOM 876 CB GLN A 61 8.270 -8.212 -9.257 1.00 0.00 C ATOM 877 CG GLN A 61 9.168 -9.344 -8.783 1.00 0.00 C ATOM 878 CD GLN A 61 10.622 -8.929 -8.677 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.982 -7.797 -8.998 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.467 -9.848 -8.222 1.00 0.00 N ATOM 0 H GLN A 61 6.026 -10.438 -9.314 1.00 0.00 H new ATOM 0 HA GLN A 61 6.584 -8.718 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.467 -8.020 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.528 -7.303 -8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.822 -9.694 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.083 -10.184 -9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.124 -10.774 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.458 -9.627 -8.127 1.00 0.00 H new ATOM 889 N GLY A 62 4.646 -7.432 -9.528 1.00 0.00 N ATOM 890 CA GLY A 62 3.776 -6.328 -9.890 1.00 0.00 C ATOM 891 C GLY A 62 3.562 -5.359 -8.744 1.00 0.00 C ATOM 892 O GLY A 62 3.345 -5.772 -7.605 1.00 0.00 O ATOM 0 H GLY A 62 4.165 -8.311 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.205 -5.794 -10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.812 -6.720 -10.215 1.00 0.00 H new ATOM 896 N HIS A 63 3.624 -4.066 -9.046 1.00 0.00 N ATOM 897 CA HIS A 63 3.436 -3.034 -8.032 1.00 0.00 C ATOM 898 C HIS A 63 1.986 -2.563 -7.999 1.00 0.00 C ATOM 899 O HIS A 63 1.199 -2.875 -8.895 1.00 0.00 O ATOM 900 CB HIS A 63 4.364 -1.849 -8.303 1.00 0.00 C ATOM 901 CG HIS A 63 5.783 -2.248 -8.566 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.292 -2.424 -9.835 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.804 -2.503 -7.715 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.564 -2.772 -9.754 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.900 -2.826 -8.477 1.00 0.00 N ATOM 0 H HIS A 63 3.803 -3.708 -9.984 1.00 0.00 H new ATOM 0 HA HIS A 63 3.682 -3.464 -7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.987 -1.292 -9.160 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.338 -1.174 -7.447 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.764 -2.460 -6.637 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.218 -2.977 -10.589 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.823 -3.068 -8.116 1.00 0.00 H new ATOM 913 N LEU A 64 1.636 -1.811 -6.962 1.00 0.00 N ATOM 914 CA LEU A 64 0.280 -1.297 -6.811 1.00 0.00 C ATOM 915 C LEU A 64 0.203 0.169 -7.228 1.00 0.00 C ATOM 916 O LEU A 64 0.922 1.013 -6.694 1.00 0.00 O ATOM 917 CB LEU A 64 -0.187 -1.452 -5.363 1.00 0.00 C ATOM 918 CG LEU A 64 -0.942 -2.740 -5.036 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.347 -2.699 -5.616 1.00 0.00 C ATOM 920 CD2 LEU A 64 -0.182 -3.950 -5.558 1.00 0.00 C ATOM 0 H LEU A 64 2.274 -1.543 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.376 -1.876 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.685 -1.391 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.828 -0.606 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.022 -2.826 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.868 -3.625 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.891 -1.854 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.291 -2.589 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.734 -4.858 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.070 -3.870 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.803 -3.989 -5.093 1.00 0.00 H new ATOM 932 N GLN A 65 -0.673 0.462 -8.182 1.00 0.00 N ATOM 933 CA GLN A 65 -0.844 1.825 -8.670 1.00 0.00 C ATOM 934 C GLN A 65 -1.585 2.681 -7.646 1.00 0.00 C ATOM 935 O GLN A 65 -2.495 2.203 -6.970 1.00 0.00 O ATOM 936 CB GLN A 65 -1.604 1.825 -9.997 1.00 0.00 C ATOM 937 CG GLN A 65 -0.917 1.022 -11.090 1.00 0.00 C ATOM 938 CD GLN A 65 -1.750 0.923 -12.352 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.283 1.921 -12.838 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.868 -0.285 -12.892 1.00 0.00 N ATOM 0 H GLN A 65 -1.276 -0.226 -8.633 1.00 0.00 H new ATOM 0 HA GLN A 65 0.146 2.253 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.603 1.421 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.727 2.854 -10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.041 1.484 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.705 0.019 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.410 -1.085 -12.456 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.417 -0.412 -13.742 1.00 0.00 H new ATOM 949 N GLU A 66 -1.189 3.945 -7.541 1.00 0.00 N ATOM 950 CA GLU A 66 -1.815 4.864 -6.598 1.00 0.00 C ATOM 951 C GLU A 66 -3.336 4.737 -6.644 1.00 0.00 C ATOM 952 O GLU A 66 -4.006 4.798 -5.613 1.00 0.00 O ATOM 953 CB GLU A 66 -1.403 6.305 -6.908 1.00 0.00 C ATOM 954 CG GLU A 66 -2.173 7.343 -6.108 1.00 0.00 C ATOM 955 CD GLU A 66 -2.134 8.718 -6.746 1.00 0.00 C ATOM 956 OE1 GLU A 66 -2.751 8.891 -7.819 1.00 0.00 O ATOM 957 OE2 GLU A 66 -1.488 9.620 -6.174 1.00 0.00 O ATOM 0 H GLU A 66 -0.439 4.356 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.476 4.604 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.338 6.421 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.550 6.495 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.210 7.023 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.758 7.402 -5.102 1.00 0.00 H new ATOM 964 N ASN A 67 -3.873 4.561 -7.847 1.00 0.00 N ATOM 965 CA ASN A 67 -5.314 4.427 -8.028 1.00 0.00 C ATOM 966 C ASN A 67 -5.922 3.558 -6.930 1.00 0.00 C ATOM 967 O ASN A 67 -7.047 3.794 -6.491 1.00 0.00 O ATOM 968 CB ASN A 67 -5.623 3.825 -9.400 1.00 0.00 C ATOM 969 CG ASN A 67 -7.049 4.092 -9.842 1.00 0.00 C ATOM 970 OD1 ASN A 67 -7.567 5.194 -9.667 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.689 3.080 -10.417 1.00 0.00 N ATOM 0 H ASN A 67 -3.332 4.508 -8.710 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.757 5.421 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.934 4.237 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.451 2.749 -9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.651 3.199 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.218 2.184 -10.541 1.00 0.00 H new ATOM 978 N GLU A 68 -5.168 2.555 -6.492 1.00 0.00 N ATOM 979 CA GLU A 68 -5.634 1.652 -5.446 1.00 0.00 C ATOM 980 C GLU A 68 -5.367 2.238 -4.062 1.00 0.00 C ATOM 981 O GLU A 68 -6.295 2.606 -3.343 1.00 0.00 O ATOM 982 CB GLU A 68 -4.948 0.290 -5.576 1.00 0.00 C ATOM 983 CG GLU A 68 -5.250 -0.422 -6.883 1.00 0.00 C ATOM 984 CD GLU A 68 -6.736 -0.634 -7.102 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.392 -1.208 -6.208 1.00 0.00 O ATOM 986 OE2 GLU A 68 -7.243 -0.225 -8.167 1.00 0.00 O ATOM 0 H GLU A 68 -4.234 2.347 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.710 1.523 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.870 0.426 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.259 -0.345 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.844 0.159 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.744 -1.387 -6.892 1.00 0.00 H new ATOM 993 N ILE A 69 -4.091 2.322 -3.699 1.00 0.00 N ATOM 994 CA ILE A 69 -3.702 2.864 -2.403 1.00 0.00 C ATOM 995 C ILE A 69 -4.596 4.033 -2.005 1.00 0.00 C ATOM 996 O ILE A 69 -5.054 4.116 -0.865 1.00 0.00 O ATOM 997 CB ILE A 69 -2.235 3.332 -2.406 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.323 2.222 -2.931 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.811 3.755 -1.007 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.927 2.401 -4.380 1.00 0.00 C ATOM 0 H ILE A 69 -3.311 2.022 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.817 2.059 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.146 4.193 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.422 2.183 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.828 1.263 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.772 4.083 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.444 4.574 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.913 2.911 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.281 1.578 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.821 2.410 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.393 3.344 -4.497 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.842 4.933 -2.951 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.682 6.096 -2.699 1.00 0.00 C ATOM 1014 C GLU A 70 -6.846 5.739 -1.779 1.00 0.00 C ATOM 1015 O GLU A 70 -6.918 6.203 -0.642 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.215 6.664 -4.016 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.640 8.121 -3.924 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.981 8.294 -3.236 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -8.810 7.363 -3.311 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.200 9.360 -2.624 1.00 0.00 O ATOM 0 H GLU A 70 -4.471 4.878 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.071 6.852 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.445 6.567 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.066 6.066 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.881 8.684 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.693 8.544 -4.927 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.755 4.910 -2.281 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.917 4.489 -1.506 1.00 0.00 C ATOM 1029 C CYS A 71 -8.528 3.440 -0.469 1.00 0.00 C ATOM 1030 O CYS A 71 -8.983 3.484 0.673 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.999 3.932 -2.432 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.590 5.110 -3.669 1.00 0.00 S ATOM 0 H CYS A 71 -7.710 4.516 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.310 5.361 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.608 3.052 -2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.844 3.601 -1.828 1.00 0.00 H new ATOM 0 HG CYS A 71 -9.817 6.155 -3.677 1.00 0.00 H new ATOM 1038 N MET A 72 -7.686 2.497 -0.876 1.00 0.00 N ATOM 1039 CA MET A 72 -7.236 1.437 0.018 1.00 0.00 C ATOM 1040 C MET A 72 -6.956 1.984 1.414 1.00 0.00 C ATOM 1041 O MET A 72 -7.472 1.472 2.408 1.00 0.00 O ATOM 1042 CB MET A 72 -5.979 0.768 -0.541 1.00 0.00 C ATOM 1043 CG MET A 72 -5.709 -0.607 0.049 1.00 0.00 C ATOM 1044 SD MET A 72 -4.076 -1.239 -0.380 1.00 0.00 S ATOM 1045 CE MET A 72 -4.276 -1.532 -2.135 1.00 0.00 C ATOM 0 H MET A 72 -7.301 2.445 -1.819 1.00 0.00 H new ATOM 0 HA MET A 72 -8.032 0.696 0.090 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.076 0.677 -1.623 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.120 1.411 -0.351 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.801 -0.557 1.134 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.468 -1.305 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.347 -1.926 -2.546 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.078 -2.253 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.526 -0.596 -2.634 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.138 3.030 1.482 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.790 3.648 2.756 1.00 0.00 C ATOM 1057 C VAL A 73 -6.536 4.964 2.949 1.00 0.00 C ATOM 1058 O VAL A 73 -6.861 5.652 1.983 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.276 3.908 2.859 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.495 2.629 2.595 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.857 5.008 1.895 1.00 0.00 C ATOM 0 H VAL A 73 -5.704 3.467 0.669 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.084 2.949 3.539 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.050 4.240 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.427 2.832 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.775 1.874 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.723 2.263 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.784 5.178 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.096 4.708 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.391 5.927 2.137 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.802 5.307 4.205 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.506 6.543 4.526 1.00 0.00 C ATOM 1073 C ALA A 74 -6.708 7.762 4.078 1.00 0.00 C ATOM 1074 O ALA A 74 -5.651 7.632 3.460 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.790 6.615 6.019 1.00 0.00 C ATOM 0 H ALA A 74 -6.541 4.747 5.017 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.453 6.544 3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.316 7.543 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.408 5.767 6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.850 6.587 6.570 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.220 8.948 4.392 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.555 10.190 4.022 1.00 0.00 C ATOM 1083 C ALA A 75 -5.330 10.438 4.896 1.00 0.00 C ATOM 1084 O ALA A 75 -4.217 10.582 4.393 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.523 11.358 4.125 1.00 0.00 C ATOM 0 H ALA A 75 -8.094 9.074 4.902 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.220 10.100 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.012 12.280 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.366 11.192 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.886 11.441 5.150 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.544 10.486 6.207 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.456 10.718 7.150 1.00 0.00 C ATOM 1093 C GLU A 76 -3.259 9.828 6.830 1.00 0.00 C ATOM 1094 O GLU A 76 -2.131 10.119 7.229 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.929 10.460 8.582 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.623 9.121 8.762 1.00 0.00 C ATOM 1097 CD GLU A 76 -5.487 8.576 10.170 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -4.339 8.411 10.634 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.528 8.316 10.809 1.00 0.00 O ATOM 0 H GLU A 76 -6.460 10.367 6.640 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.147 11.759 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.071 10.508 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.612 11.256 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.680 9.229 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.206 8.402 8.057 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.513 8.742 6.108 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.458 7.810 5.733 1.00 0.00 C ATOM 1108 C ILE A 77 -1.871 8.162 4.370 1.00 0.00 C ATOM 1109 O ILE A 77 -0.653 8.231 4.207 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.974 6.359 5.698 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.535 5.961 7.065 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.861 5.411 5.279 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.473 5.797 8.129 1.00 0.00 C ATOM 0 H ILE A 77 -4.441 8.486 5.771 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.681 7.892 6.493 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.777 6.292 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.249 6.717 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.085 5.025 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.241 4.390 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.504 5.685 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.039 5.478 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.943 5.515 9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.771 5.020 7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.939 6.738 8.258 1.00 0.00 H new ATOM 1125 N MET A 78 -2.746 8.385 3.395 1.00 0.00 N ATOM 1126 CA MET A 78 -2.315 8.734 2.047 1.00 0.00 C ATOM 1127 C MET A 78 -1.385 9.943 2.069 1.00 0.00 C ATOM 1128 O MET A 78 -0.423 10.011 1.305 1.00 0.00 O ATOM 1129 CB MET A 78 -3.527 9.023 1.158 1.00 0.00 C ATOM 1130 CG MET A 78 -3.193 9.090 -0.322 1.00 0.00 C ATOM 1131 SD MET A 78 -2.278 7.645 -0.894 1.00 0.00 S ATOM 1132 CE MET A 78 -2.227 7.954 -2.658 1.00 0.00 C ATOM 0 H MET A 78 -3.758 8.330 3.514 1.00 0.00 H new ATOM 0 HA MET A 78 -1.768 7.885 1.637 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.277 8.249 1.318 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.974 9.969 1.464 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.116 9.181 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.606 9.988 -0.518 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.504 7.047 -3.195 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.927 8.751 -2.908 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.219 8.252 -2.946 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.681 10.896 2.947 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.873 12.102 3.067 1.00 0.00 C ATOM 1144 C GLN A 79 0.614 11.761 3.089 1.00 0.00 C ATOM 1145 O GLN A 79 1.414 12.382 2.388 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.250 12.871 4.334 1.00 0.00 C ATOM 1147 CG GLN A 79 -1.674 11.975 5.486 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.339 12.568 6.841 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -0.275 12.303 7.401 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -2.249 13.376 7.375 1.00 0.00 N ATOM 0 H GLN A 79 -2.475 10.855 3.586 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.071 12.729 2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.399 13.475 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.062 13.560 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.748 11.797 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.185 11.006 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.117 13.568 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.079 13.805 8.285 1.00 0.00 H new ATOM 1159 N ARG A 80 0.977 10.772 3.899 1.00 0.00 N ATOM 1160 CA ARG A 80 2.368 10.350 4.013 1.00 0.00 C ATOM 1161 C ARG A 80 2.913 9.900 2.660 1.00 0.00 C ATOM 1162 O ARG A 80 3.947 10.386 2.203 1.00 0.00 O ATOM 1163 CB ARG A 80 2.497 9.215 5.029 1.00 0.00 C ATOM 1164 CG ARG A 80 1.911 9.548 6.393 1.00 0.00 C ATOM 1165 CD ARG A 80 1.547 8.290 7.165 1.00 0.00 C ATOM 1166 NE ARG A 80 0.635 8.572 8.271 1.00 0.00 N ATOM 1167 CZ ARG A 80 0.401 7.723 9.264 1.00 0.00 C ATOM 1168 NH1 ARG A 80 1.009 6.544 9.291 1.00 0.00 N ATOM 1169 NH2 ARG A 80 -0.442 8.051 10.235 1.00 0.00 N ATOM 0 H ARG A 80 0.328 10.248 4.486 1.00 0.00 H new ATOM 0 HA ARG A 80 2.953 11.204 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.999 8.329 4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.551 8.963 5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.630 10.133 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.024 10.169 6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.085 7.570 6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.455 7.827 7.552 1.00 0.00 H new ATOM 0 HE ARG A 80 0.152 9.470 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.658 6.288 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.827 5.894 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.911 8.957 10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.621 7.398 10.997 1.00 0.00 H new ATOM 1183 N TYR A 81 2.208 8.969 2.025 1.00 0.00 N ATOM 1184 CA TYR A 81 2.623 8.450 0.727 1.00 0.00 C ATOM 1185 C TYR A 81 2.890 9.589 -0.253 1.00 0.00 C ATOM 1186 O TYR A 81 4.003 9.744 -0.756 1.00 0.00 O ATOM 1187 CB TYR A 81 1.551 7.517 0.161 1.00 0.00 C ATOM 1188 CG TYR A 81 2.021 6.701 -1.022 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.059 5.787 -0.891 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.428 6.846 -2.270 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.492 5.040 -1.970 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.854 6.104 -3.353 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.886 5.202 -3.198 1.00 0.00 C ATOM 1194 OH TYR A 81 3.315 4.460 -4.276 1.00 0.00 O ATOM 0 H TYR A 81 1.347 8.559 2.388 1.00 0.00 H new ATOM 0 HA TYR A 81 3.547 7.889 0.866 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.217 6.841 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.686 8.110 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.535 5.658 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.620 7.551 -2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.300 4.333 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.382 6.229 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 81 4.268 4.255 -4.174 1.00 0.00 H new ATOM 1204 N LYS A 82 1.860 10.385 -0.521 1.00 0.00 N ATOM 1205 CA LYS A 82 1.981 11.510 -1.440 1.00 0.00 C ATOM 1206 C LYS A 82 3.294 12.254 -1.219 1.00 0.00 C ATOM 1207 O LYS A 82 3.945 12.683 -2.171 1.00 0.00 O ATOM 1208 CB LYS A 82 0.803 12.470 -1.261 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.519 11.911 -1.760 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.627 12.005 -3.273 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.078 12.006 -3.729 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.246 12.689 -5.042 1.00 0.00 N ATOM 0 H LYS A 82 0.932 10.271 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 82 1.972 11.119 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.706 12.720 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.018 13.398 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.615 10.870 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.343 12.457 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.135 12.915 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.102 11.166 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.435 10.979 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.694 12.503 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.248 12.669 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.929 13.676 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.678 12.200 -5.763 1.00 0.00 H new ATOM 1226 N LYS A 83 3.680 12.403 0.044 1.00 0.00 N ATOM 1227 CA LYS A 83 4.916 13.093 0.391 1.00 0.00 C ATOM 1228 C LYS A 83 6.132 12.259 -0.001 1.00 0.00 C ATOM 1229 O LYS A 83 7.087 12.773 -0.585 1.00 0.00 O ATOM 1230 CB LYS A 83 4.953 13.392 1.892 1.00 0.00 C ATOM 1231 CG LYS A 83 4.074 14.562 2.300 1.00 0.00 C ATOM 1232 CD LYS A 83 4.228 14.886 3.777 1.00 0.00 C ATOM 1233 CE LYS A 83 5.403 15.817 4.025 1.00 0.00 C ATOM 1234 NZ LYS A 83 5.231 16.608 5.275 1.00 0.00 N ATOM 0 H LYS A 83 3.153 12.054 0.845 1.00 0.00 H new ATOM 0 HA LYS A 83 4.947 14.032 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.638 12.503 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.981 13.600 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.333 15.438 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.032 14.328 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.312 15.348 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.369 13.963 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.321 15.233 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.514 16.495 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.054 17.230 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.368 17.185 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.151 15.962 6.086 1.00 0.00 H new ATOM 1248 N LEU A 84 6.090 10.971 0.322 1.00 0.00 N ATOM 1249 CA LEU A 84 7.188 10.066 0.000 1.00 0.00 C ATOM 1250 C LEU A 84 7.543 10.144 -1.481 1.00 0.00 C ATOM 1251 O LEU A 84 8.694 10.390 -1.840 1.00 0.00 O ATOM 1252 CB LEU A 84 6.817 8.630 0.373 1.00 0.00 C ATOM 1253 CG LEU A 84 7.168 8.193 1.795 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.480 6.880 2.136 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.676 8.064 1.956 1.00 0.00 C ATOM 0 H LEU A 84 5.308 10.530 0.806 1.00 0.00 H new ATOM 0 HA LEU A 84 8.059 10.372 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.744 8.505 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.312 7.955 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 84 6.812 8.956 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.742 6.585 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.400 7.005 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.805 6.107 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.908 7.752 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.055 7.321 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.147 9.026 1.755 1.00 0.00 H new ATOM 1267 N GLN A 85 6.546 9.935 -2.334 1.00 0.00 N ATOM 1268 CA GLN A 85 6.754 9.984 -3.777 1.00 0.00 C ATOM 1269 C GLN A 85 7.374 11.313 -4.193 1.00 0.00 C ATOM 1270 O GLN A 85 8.320 11.348 -4.982 1.00 0.00 O ATOM 1271 CB GLN A 85 5.428 9.774 -4.511 1.00 0.00 C ATOM 1272 CG GLN A 85 4.809 8.407 -4.271 1.00 0.00 C ATOM 1273 CD GLN A 85 3.295 8.430 -4.344 1.00 0.00 C ATOM 1274 OE1 GLN A 85 2.702 7.971 -5.321 1.00 0.00 O ATOM 1275 NE2 GLN A 85 2.661 8.967 -3.309 1.00 0.00 N ATOM 0 H GLN A 85 5.587 9.730 -2.052 1.00 0.00 H new ATOM 0 HA GLN A 85 7.442 9.183 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.723 10.543 -4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.589 9.908 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.194 7.704 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.116 8.040 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.193 9.335 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.642 9.011 -3.302 1.00 0.00 H new ATOM 1284 N PHE A 86 6.837 12.404 -3.659 1.00 0.00 N ATOM 1285 CA PHE A 86 7.338 13.737 -3.976 1.00 0.00 C ATOM 1286 C PHE A 86 8.840 13.827 -3.725 1.00 0.00 C ATOM 1287 O PHE A 86 9.601 14.259 -4.591 1.00 0.00 O ATOM 1288 CB PHE A 86 6.605 14.792 -3.145 1.00 0.00 C ATOM 1289 CG PHE A 86 7.239 16.152 -3.207 1.00 0.00 C ATOM 1290 CD1 PHE A 86 6.933 17.026 -4.238 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.142 16.555 -2.237 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.515 18.279 -4.298 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.727 17.806 -2.292 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.414 18.668 -3.324 1.00 0.00 C ATOM 0 H PHE A 86 6.055 12.392 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 86 7.153 13.926 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.574 14.864 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.569 14.464 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.232 16.725 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.392 15.884 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.267 18.952 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.428 18.109 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.871 19.645 -3.370 1.00 0.00 H new