USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -62:sc= -1.33! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.799 X(o=-0.18,f=-0.46) USER MOD Set 1.3: A 85 CYS SG : rot 166:sc= -0.331 USER MOD Set 1.4: A 87 SER OG : rot -135:sc= 0.00247 USER MOD Set 1.5: A 88 CYS SG : rot -121:sc= 1.01 USER MOD Set 1.6: A 90 THR OG1 : rot 108:sc= 1.14 USER MOD Set 1.7: A 92 TYR OH : rot -71:sc= 0.121 USER MOD Set 2.1: A 28 CYS SG : rot 140:sc= 0.0623 USER MOD Set 2.2: A 31 CYS SG : rot -58:sc= -1.45 USER MOD Set 2.3: A 39 SER OG : rot 92:sc= 1.03 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -2.72 K(o=-3.4,f=-8.2!) USER MOD Set 2.5: A 69 CYS SG : rot 170:sc= -0.268 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 17 THR OG1 : rot -66:sc= 0.807 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.901 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= 0.657 (180deg=0.107) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -149:sc= -0.352 (180deg=-1.33!) USER MOD Single : A 74 TYR OH : rot 135:sc= 1.27 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.67) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.0532 (180deg=-0.425) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.595 8.498 -1.243 1.00 0.00 N ATOM 67 CA GLU A 8 -2.600 7.823 -2.068 1.00 0.00 C ATOM 68 C GLU A 8 -2.856 6.320 -2.110 1.00 0.00 C ATOM 69 O GLU A 8 -3.313 5.715 -1.140 1.00 0.00 O ATOM 70 CB GLU A 8 -1.192 8.097 -1.533 1.00 0.00 C ATOM 71 CG GLU A 8 -0.768 9.551 -1.653 1.00 0.00 C ATOM 72 CD GLU A 8 0.309 9.929 -0.655 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.280 9.401 0.476 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.181 10.752 -1.005 1.00 0.00 O ATOM 0 HA GLU A 8 -2.679 8.215 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.146 7.799 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.479 7.474 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.403 9.737 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.637 10.192 -1.505 1.00 0.00 H new ATOM 81 N PRO A 9 -2.555 5.701 -3.261 1.00 0.00 N ATOM 82 CA PRO A 9 -2.745 4.261 -3.459 1.00 0.00 C ATOM 83 C PRO A 9 -1.762 3.429 -2.642 1.00 0.00 C ATOM 84 O PRO A 9 -1.746 2.202 -2.735 1.00 0.00 O ATOM 85 CB PRO A 9 -2.489 4.071 -4.956 1.00 0.00 C ATOM 86 CG PRO A 9 -1.603 5.206 -5.336 1.00 0.00 C ATOM 87 CD PRO A 9 -2.007 6.359 -4.459 1.00 0.00 C ATOM 0 HA PRO A 9 -3.733 3.933 -3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.012 3.112 -5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.420 4.089 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.554 4.950 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.721 5.457 -6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.156 6.995 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.749 6.992 -4.945 1.00 0.00 H new ATOM 95 N GLU A 10 -0.944 4.106 -1.841 1.00 0.00 N ATOM 96 CA GLU A 10 0.043 3.428 -1.008 1.00 0.00 C ATOM 97 C GLU A 10 -0.599 2.894 0.269 1.00 0.00 C ATOM 98 O GLU A 10 -0.132 1.912 0.846 1.00 0.00 O ATOM 99 CB GLU A 10 1.187 4.380 -0.657 1.00 0.00 C ATOM 100 CG GLU A 10 2.421 3.677 -0.117 1.00 0.00 C ATOM 101 CD GLU A 10 3.482 4.647 0.366 1.00 0.00 C ATOM 102 OE1 GLU A 10 4.261 5.141 -0.476 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.533 4.911 1.585 1.00 0.00 O ATOM 0 H GLU A 10 -0.945 5.122 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 10 0.442 2.586 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.462 4.947 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.836 5.099 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.131 3.023 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.843 3.042 -0.896 1.00 0.00 H new ATOM 110 N GLN A 11 -1.671 3.548 0.704 1.00 0.00 N ATOM 111 CA GLN A 11 -2.376 3.140 1.913 1.00 0.00 C ATOM 112 C GLN A 11 -3.447 2.101 1.595 1.00 0.00 C ATOM 113 O GLN A 11 -3.559 1.081 2.276 1.00 0.00 O ATOM 114 CB GLN A 11 -3.012 4.353 2.593 1.00 0.00 C ATOM 115 CG GLN A 11 -3.620 5.348 1.617 1.00 0.00 C ATOM 116 CD GLN A 11 -4.394 6.450 2.312 1.00 0.00 C ATOM 117 OE1 GLN A 11 -5.318 6.185 3.082 1.00 0.00 O ATOM 118 NE2 GLN A 11 -4.020 7.696 2.045 1.00 0.00 N ATOM 0 H GLN A 11 -2.070 4.362 0.237 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.650 2.691 2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.786 4.010 3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.257 4.860 3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.827 5.791 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.283 4.820 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.249 7.870 1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.504 8.479 2.484 1.00 0.00 H new ATOM 127 N VAL A 12 -4.232 2.367 0.556 1.00 0.00 N ATOM 128 CA VAL A 12 -5.293 1.455 0.147 1.00 0.00 C ATOM 129 C VAL A 12 -4.777 0.025 0.036 1.00 0.00 C ATOM 130 O VAL A 12 -5.480 -0.927 0.376 1.00 0.00 O ATOM 131 CB VAL A 12 -5.904 1.874 -1.204 1.00 0.00 C ATOM 132 CG1 VAL A 12 -4.816 2.032 -2.256 1.00 0.00 C ATOM 133 CG2 VAL A 12 -6.948 0.864 -1.653 1.00 0.00 C ATOM 0 H VAL A 12 -4.153 3.207 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.064 1.502 0.917 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.396 2.838 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.266 2.328 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.108 2.797 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.293 1.084 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.369 1.176 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.483 -0.115 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.742 0.806 -0.909 1.00 0.00 H new ATOM 143 N ILE A 13 -3.545 -0.118 -0.440 1.00 0.00 N ATOM 144 CA ILE A 13 -2.934 -1.433 -0.594 1.00 0.00 C ATOM 145 C ILE A 13 -2.726 -2.104 0.760 1.00 0.00 C ATOM 146 O ILE A 13 -3.327 -3.139 1.049 1.00 0.00 O ATOM 147 CB ILE A 13 -1.580 -1.343 -1.322 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.779 -0.838 -2.753 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.888 -2.698 -1.324 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.555 -1.796 -3.629 1.00 0.00 C ATOM 0 H ILE A 13 -2.950 0.660 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.620 -2.032 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.945 -0.634 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.301 0.118 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.804 -0.655 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.068 -2.618 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.718 -3.021 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.517 -3.427 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.658 -1.373 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.023 -2.746 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.544 -1.961 -3.201 1.00 0.00 H new ATOM 162 N ARG A 14 -1.874 -1.506 1.586 1.00 0.00 N ATOM 163 CA ARG A 14 -1.588 -2.046 2.910 1.00 0.00 C ATOM 164 C ARG A 14 -2.877 -2.275 3.694 1.00 0.00 C ATOM 165 O ARG A 14 -3.077 -3.337 4.284 1.00 0.00 O ATOM 166 CB ARG A 14 -0.670 -1.097 3.683 1.00 0.00 C ATOM 167 CG ARG A 14 0.695 -0.911 3.040 1.00 0.00 C ATOM 168 CD ARG A 14 1.670 -1.991 3.482 1.00 0.00 C ATOM 169 NE ARG A 14 1.946 -1.926 4.915 1.00 0.00 N ATOM 170 CZ ARG A 14 3.058 -2.394 5.471 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.993 -2.956 4.719 1.00 0.00 N ATOM 172 NH2 ARG A 14 3.236 -2.298 6.782 1.00 0.00 N ATOM 0 H ARG A 14 -1.370 -0.648 1.362 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.085 -3.005 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.156 -0.125 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.536 -1.479 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.593 -0.933 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.092 0.069 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.261 -2.971 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.603 -1.886 2.928 1.00 0.00 H new ATOM 0 HE ARG A 14 1.247 -1.498 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.860 -3.030 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.846 -3.314 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.519 -1.865 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.090 -2.658 7.208 1.00 0.00 H new ATOM 186 N LYS A 15 -3.748 -1.272 3.697 1.00 0.00 N ATOM 187 CA LYS A 15 -5.018 -1.362 4.407 1.00 0.00 C ATOM 188 C LYS A 15 -5.713 -2.688 4.112 1.00 0.00 C ATOM 189 O LYS A 15 -6.428 -3.227 4.958 1.00 0.00 O ATOM 190 CB LYS A 15 -5.931 -0.198 4.013 1.00 0.00 C ATOM 191 CG LYS A 15 -7.343 -0.322 4.557 1.00 0.00 C ATOM 192 CD LYS A 15 -8.359 0.311 3.621 1.00 0.00 C ATOM 193 CE LYS A 15 -8.577 1.781 3.946 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.136 2.528 2.786 1.00 0.00 N ATOM 0 H LYS A 15 -3.597 -0.386 3.215 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.812 -1.308 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.493 0.734 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.974 -0.133 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.587 -1.374 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.400 0.156 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.017 0.212 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.306 -0.223 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.255 1.869 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.631 2.231 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.270 3.526 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.478 2.466 1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.051 2.115 2.516 1.00 0.00 H new ATOM 208 N TYR A 16 -5.497 -3.210 2.910 1.00 0.00 N ATOM 209 CA TYR A 16 -6.103 -4.472 2.504 1.00 0.00 C ATOM 210 C TYR A 16 -5.105 -5.620 2.629 1.00 0.00 C ATOM 211 O TYR A 16 -5.489 -6.774 2.822 1.00 0.00 O ATOM 212 CB TYR A 16 -6.612 -4.378 1.065 1.00 0.00 C ATOM 213 CG TYR A 16 -7.605 -3.260 0.846 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.521 -2.914 1.831 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.627 -2.547 -0.347 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.431 -1.893 1.635 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.532 -1.524 -0.552 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.432 -1.201 0.442 1.00 0.00 C ATOM 219 OH TYR A 16 -10.336 -0.182 0.243 1.00 0.00 O ATOM 0 H TYR A 16 -4.906 -2.778 2.199 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.945 -4.672 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.763 -4.234 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.077 -5.325 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.522 -3.453 2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.924 -2.797 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.137 -1.638 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.535 -0.980 -1.485 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.203 0.203 -0.648 1.00 0.00 H new ATOM 229 N THR A 17 -3.821 -5.295 2.517 1.00 0.00 N ATOM 230 CA THR A 17 -2.767 -6.296 2.616 1.00 0.00 C ATOM 231 C THR A 17 -1.824 -5.990 3.774 1.00 0.00 C ATOM 232 O THR A 17 -1.299 -4.882 3.880 1.00 0.00 O ATOM 233 CB THR A 17 -1.951 -6.384 1.313 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.466 -5.086 0.951 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.796 -6.948 0.181 1.00 0.00 C ATOM 0 H THR A 17 -3.486 -4.345 2.357 1.00 0.00 H new ATOM 0 HA THR A 17 -3.257 -7.253 2.794 1.00 0.00 H new ATOM 0 HB THR A 17 -1.108 -7.053 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.223 -4.504 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.198 -7.000 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.140 -7.947 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.657 -6.301 0.012 1.00 0.00 H new ATOM 243 N GLU A 18 -1.615 -6.978 4.638 1.00 0.00 N ATOM 244 CA GLU A 18 -0.734 -6.811 5.788 1.00 0.00 C ATOM 245 C GLU A 18 0.627 -7.449 5.528 1.00 0.00 C ATOM 246 O GLU A 18 0.715 -8.620 5.162 1.00 0.00 O ATOM 247 CB GLU A 18 -1.368 -7.428 7.037 1.00 0.00 C ATOM 248 CG GLU A 18 -0.949 -6.749 8.331 1.00 0.00 C ATOM 249 CD GLU A 18 -1.529 -5.355 8.472 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.608 -5.101 7.897 1.00 0.00 O ATOM 251 OE2 GLU A 18 -0.903 -4.518 9.155 1.00 0.00 O ATOM 0 H GLU A 18 -2.043 -7.901 4.564 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.590 -5.743 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.453 -7.379 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.100 -8.483 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.268 -7.358 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.139 -6.692 8.371 1.00 0.00 H new ATOM 258 N GLU A 19 1.686 -6.669 5.720 1.00 0.00 N ATOM 259 CA GLU A 19 3.043 -7.157 5.504 1.00 0.00 C ATOM 260 C GLU A 19 3.417 -8.205 6.549 1.00 0.00 C ATOM 261 O GLU A 19 3.262 -7.983 7.750 1.00 0.00 O ATOM 262 CB GLU A 19 4.040 -5.997 5.551 1.00 0.00 C ATOM 263 CG GLU A 19 5.472 -6.413 5.262 1.00 0.00 C ATOM 264 CD GLU A 19 6.477 -5.337 5.626 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.163 -4.506 6.504 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.577 -5.326 5.034 1.00 0.00 O ATOM 0 H GLU A 19 1.630 -5.697 6.025 1.00 0.00 H new ATOM 0 HA GLU A 19 3.082 -7.621 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.738 -5.240 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.997 -5.532 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.701 -7.322 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.570 -6.653 4.203 1.00 0.00 H new ATOM 273 N LEU A 20 3.909 -9.347 6.082 1.00 0.00 N ATOM 274 CA LEU A 20 4.304 -10.431 6.975 1.00 0.00 C ATOM 275 C LEU A 20 5.795 -10.359 7.292 1.00 0.00 C ATOM 276 O LEU A 20 6.622 -10.178 6.399 1.00 0.00 O ATOM 277 CB LEU A 20 3.970 -11.784 6.345 1.00 0.00 C ATOM 278 CG LEU A 20 2.569 -11.919 5.747 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.460 -13.193 4.924 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.516 -11.898 6.845 1.00 0.00 C ATOM 0 H LEU A 20 4.044 -9.546 5.091 1.00 0.00 H new ATOM 0 HA LEU A 20 3.747 -10.323 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.699 -11.987 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.095 -12.556 7.104 1.00 0.00 H new ATOM 0 HG LEU A 20 2.393 -11.069 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.456 -13.272 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.189 -13.166 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.657 -14.055 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.525 -11.995 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.689 -12.727 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.578 -10.957 7.391 1.00 0.00 H new ATOM 292 N LYS A 21 6.130 -10.504 8.569 1.00 0.00 N ATOM 293 CA LYS A 21 7.521 -10.459 9.005 1.00 0.00 C ATOM 294 C LYS A 21 8.420 -11.222 8.037 1.00 0.00 C ATOM 295 O LYS A 21 9.563 -10.833 7.797 1.00 0.00 O ATOM 296 CB LYS A 21 7.655 -11.047 10.412 1.00 0.00 C ATOM 297 CG LYS A 21 8.859 -10.525 11.177 1.00 0.00 C ATOM 298 CD LYS A 21 9.061 -11.279 12.480 1.00 0.00 C ATOM 299 CE LYS A 21 8.231 -10.680 13.605 1.00 0.00 C ATOM 300 NZ LYS A 21 8.417 -11.418 14.885 1.00 0.00 N ATOM 0 H LYS A 21 5.457 -10.654 9.321 1.00 0.00 H new ATOM 0 HA LYS A 21 7.837 -9.416 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.751 -10.823 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.725 -12.132 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.752 -10.618 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.726 -9.464 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.788 -12.325 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.116 -11.258 12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.509 -9.635 13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.177 -10.695 13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.835 -10.979 15.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.128 -12.409 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.418 -11.382 15.164 1.00 0.00 H new ATOM 314 N VAL A 22 7.895 -12.310 7.481 1.00 0.00 N ATOM 315 CA VAL A 22 8.649 -13.125 6.536 1.00 0.00 C ATOM 316 C VAL A 22 7.741 -13.686 5.447 1.00 0.00 C ATOM 317 O VAL A 22 6.696 -14.268 5.735 1.00 0.00 O ATOM 318 CB VAL A 22 9.361 -14.292 7.246 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.078 -15.174 6.235 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.334 -13.765 8.290 1.00 0.00 C ATOM 0 H VAL A 22 6.951 -12.647 7.669 1.00 0.00 H new ATOM 0 HA VAL A 22 9.396 -12.474 6.082 1.00 0.00 H new ATOM 0 HB VAL A 22 8.611 -14.898 7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.575 -15.993 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.354 -15.579 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.819 -14.583 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.828 -14.603 8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.081 -13.136 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.790 -13.178 9.031 1.00 0.00 H new ATOM 330 N ALA A 23 8.148 -13.505 4.195 1.00 0.00 N ATOM 331 CA ALA A 23 7.372 -13.995 3.062 1.00 0.00 C ATOM 332 C ALA A 23 6.968 -15.452 3.262 1.00 0.00 C ATOM 333 O ALA A 23 7.789 -16.310 3.587 1.00 0.00 O ATOM 334 CB ALA A 23 8.165 -13.838 1.773 1.00 0.00 C ATOM 0 H ALA A 23 9.010 -13.023 3.940 1.00 0.00 H new ATOM 0 HA ALA A 23 6.462 -13.399 2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.574 -14.208 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.399 -12.785 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.091 -14.409 1.844 1.00 0.00 H new ATOM 340 N PRO A 24 5.673 -15.740 3.066 1.00 0.00 N ATOM 341 CA PRO A 24 5.130 -17.093 3.220 1.00 0.00 C ATOM 342 C PRO A 24 5.607 -18.037 2.122 1.00 0.00 C ATOM 343 O PRO A 24 6.396 -17.652 1.260 1.00 0.00 O ATOM 344 CB PRO A 24 3.617 -16.881 3.123 1.00 0.00 C ATOM 345 CG PRO A 24 3.459 -15.632 2.328 1.00 0.00 C ATOM 346 CD PRO A 24 4.638 -14.766 2.678 1.00 0.00 C ATOM 0 HA PRO A 24 5.450 -17.557 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.130 -17.725 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.167 -16.781 4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.438 -15.849 1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.522 -15.131 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.956 -14.158 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.405 -14.081 3.493 1.00 0.00 H new ATOM 354 N GLU A 25 5.123 -19.275 2.160 1.00 0.00 N ATOM 355 CA GLU A 25 5.502 -20.273 1.167 1.00 0.00 C ATOM 356 C GLU A 25 4.534 -20.262 -0.012 1.00 0.00 C ATOM 357 O GLU A 25 4.234 -21.306 -0.591 1.00 0.00 O ATOM 358 CB GLU A 25 5.536 -21.666 1.800 1.00 0.00 C ATOM 359 CG GLU A 25 6.843 -21.981 2.508 1.00 0.00 C ATOM 360 CD GLU A 25 7.144 -23.466 2.545 1.00 0.00 C ATOM 361 OE1 GLU A 25 7.272 -24.074 1.461 1.00 0.00 O ATOM 362 OE2 GLU A 25 7.251 -24.022 3.659 1.00 0.00 O ATOM 0 H GLU A 25 4.469 -19.610 2.867 1.00 0.00 H new ATOM 0 HA GLU A 25 6.498 -20.024 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.716 -21.752 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.363 -22.412 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.659 -21.461 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.801 -21.597 3.527 1.00 0.00 H new ATOM 369 N GLU A 26 4.049 -19.075 -0.361 1.00 0.00 N ATOM 370 CA GLU A 26 3.114 -18.928 -1.470 1.00 0.00 C ATOM 371 C GLU A 26 3.821 -18.392 -2.711 1.00 0.00 C ATOM 372 O GLU A 26 5.027 -18.144 -2.693 1.00 0.00 O ATOM 373 CB GLU A 26 1.967 -17.993 -1.080 1.00 0.00 C ATOM 374 CG GLU A 26 0.813 -18.700 -0.389 1.00 0.00 C ATOM 375 CD GLU A 26 -0.153 -19.334 -1.371 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.281 -20.209 -2.149 1.00 0.00 O ATOM 377 OE2 GLU A 26 -1.343 -18.955 -1.361 1.00 0.00 O ATOM 0 H GLU A 26 4.288 -18.201 0.108 1.00 0.00 H new ATOM 0 HA GLU A 26 2.708 -19.913 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.352 -17.215 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.594 -17.496 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.208 -19.469 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.275 -17.986 0.235 1.00 0.00 H new ATOM 384 N ASP A 27 3.063 -18.216 -3.788 1.00 0.00 N ATOM 385 CA ASP A 27 3.616 -17.710 -5.038 1.00 0.00 C ATOM 386 C ASP A 27 2.733 -16.608 -5.616 1.00 0.00 C ATOM 387 O ASP A 27 1.507 -16.667 -5.522 1.00 0.00 O ATOM 388 CB ASP A 27 3.766 -18.845 -6.052 1.00 0.00 C ATOM 389 CG ASP A 27 4.009 -20.186 -5.388 1.00 0.00 C ATOM 390 OD1 ASP A 27 4.950 -20.282 -4.571 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.259 -21.139 -5.683 1.00 0.00 O ATOM 0 H ASP A 27 2.063 -18.417 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 27 4.600 -17.290 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.866 -18.903 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.594 -18.620 -6.725 1.00 0.00 H new ATOM 396 N CYS A 28 3.365 -15.604 -6.215 1.00 0.00 N ATOM 397 CA CYS A 28 2.638 -14.487 -6.807 1.00 0.00 C ATOM 398 C CYS A 28 2.334 -14.755 -8.278 1.00 0.00 C ATOM 399 O CYS A 28 3.203 -15.195 -9.032 1.00 0.00 O ATOM 400 CB CYS A 28 3.445 -13.195 -6.669 1.00 0.00 C ATOM 401 SG CYS A 28 2.817 -11.815 -7.678 1.00 0.00 S ATOM 0 H CYS A 28 4.379 -15.541 -6.303 1.00 0.00 H new ATOM 0 HA CYS A 28 1.694 -14.376 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.450 -12.892 -5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.480 -13.394 -6.948 1.00 0.00 H new ATOM 0 HG CYS A 28 2.890 -10.711 -6.996 1.00 0.00 H new ATOM 406 N ILE A 29 1.096 -14.487 -8.679 1.00 0.00 N ATOM 407 CA ILE A 29 0.678 -14.698 -10.059 1.00 0.00 C ATOM 408 C ILE A 29 0.810 -13.417 -10.875 1.00 0.00 C ATOM 409 O ILE A 29 0.997 -13.460 -12.092 1.00 0.00 O ATOM 410 CB ILE A 29 -0.778 -15.196 -10.137 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.717 -14.202 -9.449 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.901 -16.574 -9.505 1.00 0.00 C ATOM 413 CD1 ILE A 29 -3.137 -14.255 -9.967 1.00 0.00 C ATOM 0 H ILE A 29 0.365 -14.123 -8.068 1.00 0.00 H new ATOM 0 HA ILE A 29 1.336 -15.460 -10.475 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.065 -15.272 -11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.722 -14.401 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.327 -13.193 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.935 -16.912 -9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.257 -17.276 -10.035 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.599 -16.523 -8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.746 -13.524 -9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.144 -14.026 -11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.545 -15.253 -9.808 1.00 0.00 H new ATOM 425 N ILE A 30 0.712 -12.278 -10.198 1.00 0.00 N ATOM 426 CA ILE A 30 0.824 -10.984 -10.860 1.00 0.00 C ATOM 427 C ILE A 30 2.104 -10.896 -11.683 1.00 0.00 C ATOM 428 O ILE A 30 2.105 -10.370 -12.796 1.00 0.00 O ATOM 429 CB ILE A 30 0.800 -9.828 -9.843 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.528 -9.815 -9.083 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.026 -8.498 -10.548 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.603 -8.745 -8.016 1.00 0.00 C ATOM 0 H ILE A 30 0.555 -12.225 -9.192 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.037 -10.893 -11.522 1.00 0.00 H new ATOM 0 HB ILE A 30 1.606 -9.979 -9.125 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.342 -9.667 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.682 -10.790 -8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.006 -7.690 -9.816 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.994 -8.511 -11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.239 -8.339 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.572 -8.795 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.189 -8.904 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.481 -7.764 -8.475 1.00 0.00 H new ATOM 444 N CYS A 31 3.194 -11.417 -11.129 1.00 0.00 N ATOM 445 CA CYS A 31 4.482 -11.400 -11.812 1.00 0.00 C ATOM 446 C CYS A 31 4.994 -12.819 -12.043 1.00 0.00 C ATOM 447 O CYS A 31 5.963 -13.028 -12.773 1.00 0.00 O ATOM 448 CB CYS A 31 5.504 -10.604 -10.997 1.00 0.00 C ATOM 449 SG CYS A 31 6.040 -11.430 -9.465 1.00 0.00 S ATOM 0 H CYS A 31 3.211 -11.856 -10.209 1.00 0.00 H new ATOM 0 HA CYS A 31 4.345 -10.920 -12.781 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.379 -10.412 -11.619 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.075 -9.635 -10.743 1.00 0.00 H new ATOM 0 HG CYS A 31 5.006 -11.663 -8.713 1.00 0.00 H new ATOM 454 N MET A 32 4.337 -13.789 -11.417 1.00 0.00 N ATOM 455 CA MET A 32 4.724 -15.188 -11.555 1.00 0.00 C ATOM 456 C MET A 32 6.127 -15.421 -11.002 1.00 0.00 C ATOM 457 O MET A 32 6.961 -16.054 -11.649 1.00 0.00 O ATOM 458 CB MET A 32 4.666 -15.612 -13.024 1.00 0.00 C ATOM 459 CG MET A 32 3.283 -15.477 -13.641 1.00 0.00 C ATOM 460 SD MET A 32 2.045 -16.481 -12.798 1.00 0.00 S ATOM 461 CE MET A 32 1.864 -17.837 -13.953 1.00 0.00 C ATOM 0 H MET A 32 3.533 -13.632 -10.809 1.00 0.00 H new ATOM 0 HA MET A 32 4.021 -15.792 -10.981 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.371 -15.008 -13.596 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.993 -16.648 -13.108 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.977 -14.431 -13.613 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.328 -15.768 -14.691 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.129 -18.545 -13.571 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.530 -17.452 -14.917 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.823 -18.341 -14.076 1.00 0.00 H new ATOM 471 N GLU A 33 6.379 -14.904 -9.804 1.00 0.00 N ATOM 472 CA GLU A 33 7.681 -15.056 -9.166 1.00 0.00 C ATOM 473 C GLU A 33 7.526 -15.424 -7.693 1.00 0.00 C ATOM 474 O GLU A 33 6.699 -14.852 -6.982 1.00 0.00 O ATOM 475 CB GLU A 33 8.492 -13.765 -9.298 1.00 0.00 C ATOM 476 CG GLU A 33 8.673 -13.304 -10.734 1.00 0.00 C ATOM 477 CD GLU A 33 9.867 -12.386 -10.907 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.867 -12.571 -10.182 1.00 0.00 O ATOM 479 OE2 GLU A 33 9.802 -11.482 -11.766 1.00 0.00 O ATOM 0 H GLU A 33 5.699 -14.377 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 33 8.212 -15.863 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.998 -12.976 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.473 -13.914 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.793 -14.175 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.771 -12.787 -11.062 1.00 0.00 H new ATOM 486 N LYS A 34 8.328 -16.382 -7.241 1.00 0.00 N ATOM 487 CA LYS A 34 8.282 -16.828 -5.853 1.00 0.00 C ATOM 488 C LYS A 34 8.474 -15.654 -4.899 1.00 0.00 C ATOM 489 O LYS A 34 9.492 -14.962 -4.945 1.00 0.00 O ATOM 490 CB LYS A 34 9.358 -17.886 -5.600 1.00 0.00 C ATOM 491 CG LYS A 34 8.909 -19.300 -5.926 1.00 0.00 C ATOM 492 CD LYS A 34 10.093 -20.243 -6.063 1.00 0.00 C ATOM 493 CE LYS A 34 10.608 -20.692 -4.705 1.00 0.00 C ATOM 494 NZ LYS A 34 11.224 -22.046 -4.765 1.00 0.00 N ATOM 0 H LYS A 34 9.018 -16.865 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 34 7.301 -17.266 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.238 -17.647 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.660 -17.842 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.244 -19.661 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.336 -19.296 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.799 -21.114 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.894 -19.746 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.343 -19.975 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.786 -20.698 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.563 -22.316 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.516 -22.735 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.024 -22.034 -5.429 1.00 0.00 H new ATOM 508 N LEU A 35 7.490 -15.434 -4.033 1.00 0.00 N ATOM 509 CA LEU A 35 7.552 -14.344 -3.065 1.00 0.00 C ATOM 510 C LEU A 35 8.944 -14.239 -2.451 1.00 0.00 C ATOM 511 O LEU A 35 9.368 -13.163 -2.032 1.00 0.00 O ATOM 512 CB LEU A 35 6.511 -14.554 -1.964 1.00 0.00 C ATOM 513 CG LEU A 35 5.050 -14.562 -2.415 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.145 -15.027 -1.284 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.633 -13.182 -2.900 1.00 0.00 C ATOM 0 H LEU A 35 6.640 -15.996 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 35 7.335 -13.413 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.722 -15.501 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.636 -13.769 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 35 4.950 -15.262 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.109 -15.026 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.428 -16.036 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.249 -14.352 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.590 -13.207 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.749 -12.461 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.261 -12.887 -3.741 1.00 0.00 H new ATOM 527 N ALA A 36 9.651 -15.364 -2.404 1.00 0.00 N ATOM 528 CA ALA A 36 10.997 -15.397 -1.845 1.00 0.00 C ATOM 529 C ALA A 36 11.901 -14.379 -2.531 1.00 0.00 C ATOM 530 O ALA A 36 12.668 -13.674 -1.875 1.00 0.00 O ATOM 531 CB ALA A 36 11.585 -16.795 -1.968 1.00 0.00 C ATOM 0 H ALA A 36 9.314 -16.264 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 36 10.932 -15.133 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.590 -16.805 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.957 -17.503 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.629 -17.080 -3.019 1.00 0.00 H new ATOM 537 N VAL A 37 11.806 -14.307 -3.855 1.00 0.00 N ATOM 538 CA VAL A 37 12.616 -13.374 -4.630 1.00 0.00 C ATOM 539 C VAL A 37 11.914 -12.029 -4.777 1.00 0.00 C ATOM 540 O VAL A 37 10.768 -11.866 -4.360 1.00 0.00 O ATOM 541 CB VAL A 37 12.930 -13.933 -6.031 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.622 -15.283 -5.924 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.658 -14.040 -6.859 1.00 0.00 C ATOM 0 H VAL A 37 11.176 -14.883 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 37 13.550 -13.236 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 37 13.607 -13.244 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.836 -15.662 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.555 -15.171 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.972 -15.985 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.898 -14.437 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.955 -14.708 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.208 -13.053 -6.965 1.00 0.00 H new ATOM 553 N ALA A 38 12.611 -11.067 -5.374 1.00 0.00 N ATOM 554 CA ALA A 38 12.054 -9.735 -5.579 1.00 0.00 C ATOM 555 C ALA A 38 10.857 -9.780 -6.523 1.00 0.00 C ATOM 556 O ALA A 38 10.562 -10.816 -7.118 1.00 0.00 O ATOM 557 CB ALA A 38 13.120 -8.795 -6.121 1.00 0.00 C ATOM 0 H ALA A 38 13.562 -11.185 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 38 11.710 -9.360 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.690 -7.804 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.944 -8.731 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.491 -9.176 -7.073 1.00 0.00 H new ATOM 563 N SER A 39 10.169 -8.650 -6.653 1.00 0.00 N ATOM 564 CA SER A 39 9.001 -8.562 -7.521 1.00 0.00 C ATOM 565 C SER A 39 9.410 -8.219 -8.950 1.00 0.00 C ATOM 566 O SER A 39 10.487 -7.673 -9.185 1.00 0.00 O ATOM 567 CB SER A 39 8.024 -7.510 -6.992 1.00 0.00 C ATOM 568 OG SER A 39 7.068 -7.160 -7.978 1.00 0.00 O ATOM 0 H SER A 39 10.400 -7.783 -6.168 1.00 0.00 H new ATOM 0 HA SER A 39 8.509 -9.535 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.515 -7.894 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.574 -6.621 -6.683 1.00 0.00 H new ATOM 0 HG SER A 39 6.279 -7.735 -7.888 1.00 0.00 H new ATOM 574 N GLY A 40 8.541 -8.544 -9.903 1.00 0.00 N ATOM 575 CA GLY A 40 8.829 -8.264 -11.297 1.00 0.00 C ATOM 576 C GLY A 40 8.772 -6.782 -11.614 1.00 0.00 C ATOM 577 O GLY A 40 9.616 -6.265 -12.347 1.00 0.00 O ATOM 0 H GLY A 40 7.643 -8.996 -9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.819 -8.648 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.115 -8.795 -11.926 1.00 0.00 H new ATOM 581 N TYR A 41 7.776 -6.099 -11.063 1.00 0.00 N ATOM 582 CA TYR A 41 7.610 -4.669 -11.295 1.00 0.00 C ATOM 583 C TYR A 41 8.582 -3.862 -10.439 1.00 0.00 C ATOM 584 O TYR A 41 8.531 -2.633 -10.413 1.00 0.00 O ATOM 585 CB TYR A 41 6.172 -4.245 -10.990 1.00 0.00 C ATOM 586 CG TYR A 41 5.137 -4.978 -11.813 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.659 -6.221 -11.417 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.637 -4.426 -12.986 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.714 -6.894 -12.167 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.691 -5.092 -13.742 1.00 0.00 C ATOM 591 CZ TYR A 41 3.233 -6.325 -13.328 1.00 0.00 C ATOM 592 OH TYR A 41 2.290 -6.992 -14.077 1.00 0.00 O ATOM 0 H TYR A 41 7.071 -6.512 -10.452 1.00 0.00 H new ATOM 0 HA TYR A 41 7.826 -4.470 -12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.969 -4.414 -9.932 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.073 -3.174 -11.167 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.032 -6.669 -10.508 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.994 -3.460 -13.312 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.354 -7.860 -11.846 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.313 -4.649 -14.652 1.00 0.00 H new ATOM 0 HH TYR A 41 2.056 -6.455 -14.862 1.00 0.00 H new ATOM 602 N SER A 42 9.469 -4.564 -9.741 1.00 0.00 N ATOM 603 CA SER A 42 10.452 -3.915 -8.882 1.00 0.00 C ATOM 604 C SER A 42 11.100 -2.733 -9.595 1.00 0.00 C ATOM 605 O SER A 42 11.214 -1.642 -9.035 1.00 0.00 O ATOM 606 CB SER A 42 11.526 -4.917 -8.452 1.00 0.00 C ATOM 607 OG SER A 42 12.479 -4.308 -7.599 1.00 0.00 O ATOM 0 H SER A 42 9.527 -5.582 -9.754 1.00 0.00 H new ATOM 0 HA SER A 42 9.936 -3.544 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.059 -5.758 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.026 -5.319 -9.333 1.00 0.00 H new ATOM 0 HG SER A 42 13.153 -4.969 -7.337 1.00 0.00 H new ATOM 613 N ASP A 43 11.524 -2.957 -10.834 1.00 0.00 N ATOM 614 CA ASP A 43 12.161 -1.911 -11.626 1.00 0.00 C ATOM 615 C ASP A 43 11.148 -0.844 -12.031 1.00 0.00 C ATOM 616 O ASP A 43 11.394 0.351 -11.872 1.00 0.00 O ATOM 617 CB ASP A 43 12.815 -2.511 -12.871 1.00 0.00 C ATOM 618 CG ASP A 43 13.661 -3.727 -12.552 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.651 -3.582 -11.805 1.00 0.00 O ATOM 620 OD2 ASP A 43 13.333 -4.825 -13.049 1.00 0.00 O ATOM 0 H ASP A 43 11.438 -3.854 -11.312 1.00 0.00 H new ATOM 0 HA ASP A 43 12.930 -1.442 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.041 -2.788 -13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.437 -1.755 -13.351 1.00 0.00 H new ATOM 625 N MET A 44 10.010 -1.286 -12.557 1.00 0.00 N ATOM 626 CA MET A 44 8.960 -0.368 -12.985 1.00 0.00 C ATOM 627 C MET A 44 8.694 0.689 -11.918 1.00 0.00 C ATOM 628 O MET A 44 8.884 1.884 -12.152 1.00 0.00 O ATOM 629 CB MET A 44 7.673 -1.138 -13.288 1.00 0.00 C ATOM 630 CG MET A 44 6.554 -0.262 -13.826 1.00 0.00 C ATOM 631 SD MET A 44 4.919 -0.848 -13.340 1.00 0.00 S ATOM 632 CE MET A 44 4.270 -1.389 -14.919 1.00 0.00 C ATOM 0 H MET A 44 9.791 -2.272 -12.697 1.00 0.00 H new ATOM 0 HA MET A 44 9.298 0.133 -13.892 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.890 -1.922 -14.013 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.332 -1.631 -12.378 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.692 0.758 -13.467 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.615 -0.228 -14.914 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.261 -1.779 -14.783 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.243 -0.546 -15.609 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.910 -2.172 -15.327 1.00 0.00 H new ATOM 642 N THR A 45 8.253 0.244 -10.746 1.00 0.00 N ATOM 643 CA THR A 45 7.959 1.152 -9.645 1.00 0.00 C ATOM 644 C THR A 45 9.143 1.260 -8.691 1.00 0.00 C ATOM 645 O THR A 45 9.915 0.313 -8.535 1.00 0.00 O ATOM 646 CB THR A 45 6.718 0.695 -8.855 1.00 0.00 C ATOM 647 OG1 THR A 45 6.416 1.643 -7.825 1.00 0.00 O ATOM 648 CG2 THR A 45 6.945 -0.677 -8.238 1.00 0.00 C ATOM 0 H THR A 45 8.091 -0.741 -10.535 1.00 0.00 H new ATOM 0 HA THR A 45 7.760 2.129 -10.086 1.00 0.00 H new ATOM 0 HB THR A 45 5.878 0.631 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.625 1.346 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.055 -0.979 -7.685 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.146 -1.402 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.797 -0.634 -7.559 1.00 0.00 H new ATOM 656 N ASP A 46 9.280 2.417 -8.054 1.00 0.00 N ATOM 657 CA ASP A 46 10.370 2.648 -7.113 1.00 0.00 C ATOM 658 C ASP A 46 9.848 3.256 -5.815 1.00 0.00 C ATOM 659 O ASP A 46 10.521 4.070 -5.183 1.00 0.00 O ATOM 660 CB ASP A 46 11.423 3.568 -7.734 1.00 0.00 C ATOM 661 CG ASP A 46 11.119 5.035 -7.501 1.00 0.00 C ATOM 662 OD1 ASP A 46 10.009 5.476 -7.866 1.00 0.00 O ATOM 663 OD2 ASP A 46 11.991 5.743 -6.955 1.00 0.00 O ATOM 0 H ASP A 46 8.650 3.210 -8.172 1.00 0.00 H new ATOM 0 HA ASP A 46 10.829 1.686 -6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.401 3.331 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.481 3.378 -8.806 1.00 0.00 H new ATOM 668 N SER A 47 8.643 2.855 -5.423 1.00 0.00 N ATOM 669 CA SER A 47 8.027 3.363 -4.202 1.00 0.00 C ATOM 670 C SER A 47 8.950 3.162 -3.004 1.00 0.00 C ATOM 671 O SER A 47 9.693 2.183 -2.935 1.00 0.00 O ATOM 672 CB SER A 47 6.689 2.666 -3.952 1.00 0.00 C ATOM 673 OG SER A 47 6.123 3.076 -2.719 1.00 0.00 O ATOM 0 H SER A 47 8.074 2.180 -5.933 1.00 0.00 H new ATOM 0 HA SER A 47 7.853 4.431 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.000 2.893 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.833 1.586 -3.948 1.00 0.00 H new ATOM 0 HG SER A 47 5.268 2.618 -2.583 1.00 0.00 H new ATOM 679 N LYS A 48 8.897 4.097 -2.061 1.00 0.00 N ATOM 680 CA LYS A 48 9.726 4.024 -0.864 1.00 0.00 C ATOM 681 C LYS A 48 9.082 3.129 0.191 1.00 0.00 C ATOM 682 O LYS A 48 9.653 2.116 0.591 1.00 0.00 O ATOM 683 CB LYS A 48 9.953 5.425 -0.290 1.00 0.00 C ATOM 684 CG LYS A 48 10.800 6.317 -1.180 1.00 0.00 C ATOM 685 CD LYS A 48 12.282 6.149 -0.890 1.00 0.00 C ATOM 686 CE LYS A 48 12.935 5.180 -1.864 1.00 0.00 C ATOM 687 NZ LYS A 48 13.494 5.882 -3.053 1.00 0.00 N ATOM 0 H LYS A 48 8.288 4.914 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 48 10.687 3.592 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.987 5.902 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.434 5.336 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.604 6.080 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.515 7.358 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.778 7.118 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.415 5.787 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.731 4.636 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.201 4.442 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.930 5.188 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.730 6.381 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.212 6.568 -2.745 1.00 0.00 H new ATOM 701 N ALA A 49 7.889 3.511 0.635 1.00 0.00 N ATOM 702 CA ALA A 49 7.166 2.741 1.640 1.00 0.00 C ATOM 703 C ALA A 49 7.127 1.261 1.275 1.00 0.00 C ATOM 704 O ALA A 49 7.494 0.403 2.078 1.00 0.00 O ATOM 705 CB ALA A 49 5.754 3.284 1.805 1.00 0.00 C ATOM 0 H ALA A 49 7.403 4.349 0.315 1.00 0.00 H new ATOM 0 HA ALA A 49 7.695 2.840 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.225 2.700 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.800 4.326 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.224 3.215 0.855 1.00 0.00 H new ATOM 711 N LEU A 50 6.680 0.969 0.058 1.00 0.00 N ATOM 712 CA LEU A 50 6.593 -0.409 -0.414 1.00 0.00 C ATOM 713 C LEU A 50 7.890 -0.835 -1.094 1.00 0.00 C ATOM 714 O LEU A 50 8.663 0.002 -1.559 1.00 0.00 O ATOM 715 CB LEU A 50 5.421 -0.563 -1.384 1.00 0.00 C ATOM 716 CG LEU A 50 4.030 -0.308 -0.803 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.029 -0.033 -1.914 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.580 -1.492 0.041 1.00 0.00 C ATOM 0 H LEU A 50 6.373 1.667 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 50 6.429 -1.053 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.575 0.120 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.443 -1.574 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 50 4.081 0.572 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.045 0.146 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.343 0.846 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.981 -0.893 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.588 -1.293 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.546 -2.388 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.283 -1.643 0.860 1.00 0.00 H new ATOM 730 N GLY A 51 8.122 -2.143 -1.149 1.00 0.00 N ATOM 731 CA GLY A 51 9.325 -2.658 -1.775 1.00 0.00 C ATOM 732 C GLY A 51 9.065 -3.910 -2.589 1.00 0.00 C ATOM 733 O GLY A 51 8.027 -4.559 -2.455 1.00 0.00 O ATOM 0 H GLY A 51 7.498 -2.855 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.752 -1.891 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.066 -2.876 -1.006 1.00 0.00 H new ATOM 737 N PRO A 52 10.024 -4.266 -3.457 1.00 0.00 N ATOM 738 CA PRO A 52 9.916 -5.451 -4.313 1.00 0.00 C ATOM 739 C PRO A 52 10.015 -6.750 -3.520 1.00 0.00 C ATOM 740 O PRO A 52 9.250 -7.687 -3.748 1.00 0.00 O ATOM 741 CB PRO A 52 11.108 -5.312 -5.263 1.00 0.00 C ATOM 742 CG PRO A 52 12.095 -4.486 -4.514 1.00 0.00 C ATOM 743 CD PRO A 52 11.287 -3.540 -3.669 1.00 0.00 C ATOM 0 HA PRO A 52 8.953 -5.501 -4.820 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.523 -6.286 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.816 -4.831 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.737 -5.112 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.746 -3.940 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.786 -3.318 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.124 -2.589 -4.175 1.00 0.00 H new ATOM 751 N MET A 53 10.961 -6.799 -2.589 1.00 0.00 N ATOM 752 CA MET A 53 11.158 -7.983 -1.761 1.00 0.00 C ATOM 753 C MET A 53 10.052 -8.109 -0.719 1.00 0.00 C ATOM 754 O MET A 53 9.744 -9.207 -0.255 1.00 0.00 O ATOM 755 CB MET A 53 12.522 -7.927 -1.070 1.00 0.00 C ATOM 756 CG MET A 53 13.680 -8.304 -1.979 1.00 0.00 C ATOM 757 SD MET A 53 15.042 -9.077 -1.085 1.00 0.00 S ATOM 758 CE MET A 53 15.036 -10.715 -1.809 1.00 0.00 C ATOM 0 H MET A 53 11.604 -6.033 -2.389 1.00 0.00 H new ATOM 0 HA MET A 53 11.123 -8.859 -2.409 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.685 -6.920 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.512 -8.597 -0.211 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.324 -8.986 -2.751 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.044 -7.411 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.826 -11.315 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.071 -11.189 -1.628 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.207 -10.639 -2.883 1.00 0.00 H new ATOM 768 N VAL A 54 9.457 -6.977 -0.355 1.00 0.00 N ATOM 769 CA VAL A 54 8.384 -6.961 0.632 1.00 0.00 C ATOM 770 C VAL A 54 7.224 -7.850 0.197 1.00 0.00 C ATOM 771 O VAL A 54 6.947 -7.989 -0.994 1.00 0.00 O ATOM 772 CB VAL A 54 7.860 -5.532 0.869 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.785 -5.528 1.945 1.00 0.00 C ATOM 774 CG2 VAL A 54 9.004 -4.601 1.243 1.00 0.00 C ATOM 0 H VAL A 54 9.700 -6.060 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 54 8.804 -7.345 1.562 1.00 0.00 H new ATOM 0 HB VAL A 54 7.414 -5.169 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.427 -4.510 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.955 -6.161 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.202 -5.910 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.616 -3.596 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.481 -4.959 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.735 -4.580 0.435 1.00 0.00 H new ATOM 784 N VAL A 55 6.548 -8.450 1.172 1.00 0.00 N ATOM 785 CA VAL A 55 5.416 -9.325 0.891 1.00 0.00 C ATOM 786 C VAL A 55 4.362 -9.230 1.988 1.00 0.00 C ATOM 787 O VAL A 55 4.686 -9.040 3.160 1.00 0.00 O ATOM 788 CB VAL A 55 5.863 -10.792 0.749 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.695 -11.667 0.319 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.015 -10.905 -0.238 1.00 0.00 C ATOM 0 H VAL A 55 6.765 -8.346 2.163 1.00 0.00 H new ATOM 0 HA VAL A 55 4.984 -8.991 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 55 6.211 -11.143 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.030 -12.700 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.903 -11.610 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.314 -11.319 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.318 -11.948 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.696 -10.536 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.858 -10.311 0.117 1.00 0.00 H new ATOM 800 N GLY A 56 3.097 -9.364 1.600 1.00 0.00 N ATOM 801 CA GLY A 56 2.014 -9.290 2.562 1.00 0.00 C ATOM 802 C GLY A 56 0.844 -10.178 2.187 1.00 0.00 C ATOM 803 O GLY A 56 0.679 -10.539 1.022 1.00 0.00 O ATOM 0 H GLY A 56 2.804 -9.523 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.385 -9.579 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.672 -8.258 2.641 1.00 0.00 H new ATOM 807 N ARG A 57 0.031 -10.531 3.177 1.00 0.00 N ATOM 808 CA ARG A 57 -1.128 -11.385 2.945 1.00 0.00 C ATOM 809 C ARG A 57 -2.425 -10.627 3.215 1.00 0.00 C ATOM 810 O ARG A 57 -2.609 -10.052 4.289 1.00 0.00 O ATOM 811 CB ARG A 57 -1.058 -12.628 3.834 1.00 0.00 C ATOM 812 CG ARG A 57 -0.365 -13.809 3.174 1.00 0.00 C ATOM 813 CD ARG A 57 -0.592 -15.095 3.954 1.00 0.00 C ATOM 814 NE ARG A 57 0.106 -16.229 3.355 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.255 -17.495 3.538 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.300 -17.786 4.299 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.431 -18.472 2.959 1.00 0.00 N ATOM 0 H ARG A 57 0.153 -10.239 4.147 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.118 -11.693 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.532 -12.377 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.070 -12.921 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.737 -13.929 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.704 -13.610 3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.251 -14.961 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.660 -15.309 3.998 1.00 0.00 H new ATOM 0 HE ARG A 57 0.915 -16.039 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.830 -17.038 4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.575 -18.758 4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.236 -18.252 2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.153 -19.443 3.100 1.00 0.00 H new ATOM 831 N LEU A 58 -3.320 -10.629 2.234 1.00 0.00 N ATOM 832 CA LEU A 58 -4.600 -9.941 2.364 1.00 0.00 C ATOM 833 C LEU A 58 -5.286 -10.310 3.676 1.00 0.00 C ATOM 834 O LEU A 58 -4.901 -11.273 4.341 1.00 0.00 O ATOM 835 CB LEU A 58 -5.510 -10.287 1.185 1.00 0.00 C ATOM 836 CG LEU A 58 -5.036 -9.814 -0.190 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.364 -10.851 -1.253 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.664 -8.473 -0.539 1.00 0.00 C ATOM 0 H LEU A 58 -3.183 -11.099 1.339 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.409 -8.868 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.633 -11.370 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.495 -9.860 1.374 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.954 -9.688 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.019 -10.497 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.866 -11.790 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.442 -11.010 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.315 -8.152 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.749 -8.572 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.378 -7.732 0.208 1.00 0.00 H new ATOM 850 N THR A 59 -6.305 -9.540 4.043 1.00 0.00 N ATOM 851 CA THR A 59 -7.045 -9.786 5.273 1.00 0.00 C ATOM 852 C THR A 59 -8.418 -10.380 4.980 1.00 0.00 C ATOM 853 O THR A 59 -9.285 -10.428 5.853 1.00 0.00 O ATOM 854 CB THR A 59 -7.223 -8.493 6.091 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.992 -7.543 5.345 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.873 -7.890 6.449 1.00 0.00 C ATOM 0 H THR A 59 -6.637 -8.740 3.505 1.00 0.00 H new ATOM 0 HA THR A 59 -6.460 -10.498 5.855 1.00 0.00 H new ATOM 0 HB THR A 59 -7.749 -8.742 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.102 -6.725 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.024 -6.978 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.301 -8.604 7.041 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.326 -7.655 5.536 1.00 0.00 H new ATOM 864 N LYS A 60 -8.610 -10.833 3.746 1.00 0.00 N ATOM 865 CA LYS A 60 -9.877 -11.427 3.336 1.00 0.00 C ATOM 866 C LYS A 60 -9.686 -12.879 2.912 1.00 0.00 C ATOM 867 O LYS A 60 -10.095 -13.802 3.618 1.00 0.00 O ATOM 868 CB LYS A 60 -10.492 -10.625 2.186 1.00 0.00 C ATOM 869 CG LYS A 60 -11.345 -9.456 2.647 1.00 0.00 C ATOM 870 CD LYS A 60 -11.999 -8.746 1.474 1.00 0.00 C ATOM 871 CE LYS A 60 -12.812 -7.545 1.932 1.00 0.00 C ATOM 872 NZ LYS A 60 -11.961 -6.522 2.599 1.00 0.00 N ATOM 0 H LYS A 60 -7.903 -10.800 3.011 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.554 -11.403 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.692 -10.250 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.102 -11.291 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.114 -9.813 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.727 -8.750 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.232 -8.421 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.646 -9.443 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.313 -7.097 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.591 -7.874 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.428 -5.594 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.820 -6.784 3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.039 -6.472 2.121 1.00 0.00 H new ATOM 886 N CYS A 61 -9.060 -13.076 1.757 1.00 0.00 N ATOM 887 CA CYS A 61 -8.813 -14.416 1.239 1.00 0.00 C ATOM 888 C CYS A 61 -7.485 -14.962 1.754 1.00 0.00 C ATOM 889 O CYS A 61 -7.150 -16.125 1.528 1.00 0.00 O ATOM 890 CB CYS A 61 -8.813 -14.402 -0.291 1.00 0.00 C ATOM 891 SG CYS A 61 -7.623 -13.233 -1.023 1.00 0.00 S ATOM 0 H CYS A 61 -8.714 -12.324 1.161 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.614 -15.067 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.590 -15.406 -0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.814 -14.152 -0.642 1.00 0.00 H new ATOM 0 HG CYS A 61 -7.926 -12.022 -0.660 1.00 0.00 H new ATOM 896 N SER A 62 -6.732 -14.114 2.448 1.00 0.00 N ATOM 897 CA SER A 62 -5.439 -14.510 2.993 1.00 0.00 C ATOM 898 C SER A 62 -4.519 -15.023 1.889 1.00 0.00 C ATOM 899 O SER A 62 -3.857 -16.050 2.044 1.00 0.00 O ATOM 900 CB SER A 62 -5.620 -15.587 4.063 1.00 0.00 C ATOM 901 OG SER A 62 -6.163 -15.039 5.252 1.00 0.00 O ATOM 0 H SER A 62 -6.995 -13.149 2.646 1.00 0.00 H new ATOM 0 HA SER A 62 -4.980 -13.632 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.277 -16.371 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.659 -16.054 4.280 1.00 0.00 H new ATOM 0 HG SER A 62 -6.271 -15.748 5.920 1.00 0.00 H new ATOM 907 N HIS A 63 -4.482 -14.301 0.774 1.00 0.00 N ATOM 908 CA HIS A 63 -3.643 -14.682 -0.357 1.00 0.00 C ATOM 909 C HIS A 63 -2.406 -13.793 -0.439 1.00 0.00 C ATOM 910 O HIS A 63 -2.509 -12.589 -0.672 1.00 0.00 O ATOM 911 CB HIS A 63 -4.437 -14.593 -1.661 1.00 0.00 C ATOM 912 CG HIS A 63 -5.463 -15.674 -1.812 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.250 -15.812 -2.936 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.828 -16.672 -0.974 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.056 -16.848 -2.781 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.819 -17.387 -1.599 1.00 0.00 N ATOM 0 H HIS A 63 -5.023 -13.449 0.629 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.319 -15.712 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.933 -13.623 -1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.745 -14.640 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.416 -16.869 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.785 -17.195 -3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.295 -18.202 -1.213 1.00 0.00 H new ATOM 924 N ALA A 64 -1.237 -14.395 -0.246 1.00 0.00 N ATOM 925 CA ALA A 64 0.020 -13.659 -0.299 1.00 0.00 C ATOM 926 C ALA A 64 0.240 -13.048 -1.679 1.00 0.00 C ATOM 927 O ALA A 64 -0.069 -13.665 -2.699 1.00 0.00 O ATOM 928 CB ALA A 64 1.182 -14.570 0.068 1.00 0.00 C ATOM 0 H ALA A 64 -1.134 -15.391 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.033 -12.847 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.114 -14.007 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.038 -14.955 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.228 -15.402 -0.634 1.00 0.00 H new ATOM 934 N PHE A 65 0.774 -11.831 -1.704 1.00 0.00 N ATOM 935 CA PHE A 65 1.033 -11.136 -2.959 1.00 0.00 C ATOM 936 C PHE A 65 2.039 -10.006 -2.757 1.00 0.00 C ATOM 937 O PHE A 65 2.012 -9.310 -1.741 1.00 0.00 O ATOM 938 CB PHE A 65 -0.269 -10.578 -3.536 1.00 0.00 C ATOM 939 CG PHE A 65 -0.994 -11.546 -4.427 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.637 -11.683 -5.759 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.031 -12.320 -3.932 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.302 -12.573 -6.581 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.699 -13.212 -4.749 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.335 -13.338 -6.076 1.00 0.00 C ATOM 0 H PHE A 65 1.036 -11.306 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 65 1.455 -11.854 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.926 -10.290 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.048 -9.672 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.170 -11.087 -6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.321 -12.225 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.014 -12.670 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.505 -13.810 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.857 -14.033 -6.717 1.00 0.00 H new ATOM 954 N HIS A 66 2.925 -9.829 -3.732 1.00 0.00 N ATOM 955 CA HIS A 66 3.940 -8.783 -3.662 1.00 0.00 C ATOM 956 C HIS A 66 3.297 -7.415 -3.459 1.00 0.00 C ATOM 957 O HIS A 66 2.800 -6.804 -4.406 1.00 0.00 O ATOM 958 CB HIS A 66 4.786 -8.779 -4.936 1.00 0.00 C ATOM 959 CG HIS A 66 5.757 -9.916 -5.014 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.538 -11.042 -5.778 1.00 0.00 N ATOM 961 CD2 HIS A 66 6.960 -10.095 -4.419 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.562 -11.866 -5.648 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.439 -11.315 -4.829 1.00 0.00 N ATOM 0 H HIS A 66 2.961 -10.396 -4.579 1.00 0.00 H new ATOM 0 HA HIS A 66 4.584 -8.992 -2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.125 -8.817 -5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.335 -7.839 -4.995 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.714 -11.212 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.451 -9.407 -3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.665 -12.827 -6.130 1.00 0.00 H new ATOM 971 N LEU A 67 3.309 -6.939 -2.219 1.00 0.00 N ATOM 972 CA LEU A 67 2.726 -5.643 -1.891 1.00 0.00 C ATOM 973 C LEU A 67 2.989 -4.631 -3.002 1.00 0.00 C ATOM 974 O LEU A 67 2.215 -3.693 -3.198 1.00 0.00 O ATOM 975 CB LEU A 67 3.295 -5.125 -0.569 1.00 0.00 C ATOM 976 CG LEU A 67 2.998 -5.974 0.668 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.355 -5.214 1.936 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.534 -6.391 0.689 1.00 0.00 C ATOM 0 H LEU A 67 3.716 -7.431 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 67 1.648 -5.772 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.376 -5.035 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.907 -4.121 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 67 3.612 -6.874 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.137 -5.834 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.416 -4.966 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.768 -4.297 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.340 -6.994 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.903 -5.503 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.309 -6.975 -0.203 1.00 0.00 H new ATOM 990 N LEU A 68 4.085 -4.828 -3.727 1.00 0.00 N ATOM 991 CA LEU A 68 4.450 -3.934 -4.820 1.00 0.00 C ATOM 992 C LEU A 68 3.622 -4.232 -6.066 1.00 0.00 C ATOM 993 O LEU A 68 3.000 -3.337 -6.640 1.00 0.00 O ATOM 994 CB LEU A 68 5.940 -4.068 -5.139 1.00 0.00 C ATOM 995 CG LEU A 68 6.522 -3.014 -6.082 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.928 -1.770 -5.307 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.710 -3.580 -6.846 1.00 0.00 C ATOM 0 H LEU A 68 4.736 -5.599 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 68 4.243 -2.911 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.496 -4.035 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.110 -5.052 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 68 5.753 -2.734 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.340 -1.031 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.055 -1.352 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.681 -2.034 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.111 -2.816 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.482 -3.889 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.389 -4.441 -7.433 1.00 0.00 H new ATOM 1009 N CYS A 69 3.618 -5.495 -6.479 1.00 0.00 N ATOM 1010 CA CYS A 69 2.866 -5.913 -7.656 1.00 0.00 C ATOM 1011 C CYS A 69 1.442 -5.364 -7.615 1.00 0.00 C ATOM 1012 O CYS A 69 0.910 -4.910 -8.629 1.00 0.00 O ATOM 1013 CB CYS A 69 2.833 -7.439 -7.750 1.00 0.00 C ATOM 1014 SG CYS A 69 4.395 -8.183 -8.320 1.00 0.00 S ATOM 0 H CYS A 69 4.128 -6.247 -6.016 1.00 0.00 H new ATOM 0 HA CYS A 69 3.366 -5.512 -8.537 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.585 -7.847 -6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.033 -7.733 -8.430 1.00 0.00 H new ATOM 0 HG CYS A 69 4.343 -9.473 -8.165 1.00 0.00 H new ATOM 1019 N LEU A 70 0.831 -5.408 -6.436 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.531 -4.915 -6.262 1.00 0.00 C ATOM 1021 C LEU A 70 -0.614 -3.424 -6.572 1.00 0.00 C ATOM 1022 O LEU A 70 -1.525 -2.974 -7.268 1.00 0.00 O ATOM 1023 CB LEU A 70 -1.010 -5.178 -4.833 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.127 -6.647 -4.424 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.169 -6.778 -2.910 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.363 -7.278 -5.050 1.00 0.00 C ATOM 0 H LEU A 70 1.257 -5.780 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.177 -5.449 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.325 -4.683 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.985 -4.707 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.248 -7.177 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.252 -7.830 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.255 -6.364 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.030 -6.234 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.430 -8.323 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.253 -6.745 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.292 -7.218 -6.136 1.00 0.00 H new ATOM 1038 N LEU A 71 0.343 -2.663 -6.053 1.00 0.00 N ATOM 1039 CA LEU A 71 0.380 -1.222 -6.276 1.00 0.00 C ATOM 1040 C LEU A 71 0.688 -0.905 -7.736 1.00 0.00 C ATOM 1041 O LEU A 71 0.109 0.013 -8.317 1.00 0.00 O ATOM 1042 CB LEU A 71 1.427 -0.572 -5.369 1.00 0.00 C ATOM 1043 CG LEU A 71 1.557 0.948 -5.476 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.608 1.634 -4.506 1.00 0.00 C ATOM 1045 CD2 LEU A 71 2.993 1.379 -5.217 1.00 0.00 C ATOM 0 H LEU A 71 1.104 -3.020 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.603 -0.816 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.190 -0.824 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.397 -1.016 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 71 1.286 1.247 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.714 2.715 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.418 1.350 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.847 1.330 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.067 2.463 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.291 1.068 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.650 0.915 -5.952 1.00 0.00 H new ATOM 1057 N ALA A 72 1.601 -1.671 -8.323 1.00 0.00 N ATOM 1058 CA ALA A 72 1.982 -1.474 -9.716 1.00 0.00 C ATOM 1059 C ALA A 72 0.775 -1.605 -10.639 1.00 0.00 C ATOM 1060 O ALA A 72 0.536 -0.747 -11.488 1.00 0.00 O ATOM 1061 CB ALA A 72 3.063 -2.469 -10.113 1.00 0.00 C ATOM 0 H ALA A 72 2.091 -2.434 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 72 2.378 -0.464 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.338 -2.311 -11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.939 -2.326 -9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.687 -3.484 -9.987 1.00 0.00 H new ATOM 1067 N MET A 73 0.019 -2.684 -10.467 1.00 0.00 N ATOM 1068 CA MET A 73 -1.164 -2.926 -11.286 1.00 0.00 C ATOM 1069 C MET A 73 -2.243 -1.887 -11.001 1.00 0.00 C ATOM 1070 O MET A 73 -2.829 -1.317 -11.922 1.00 0.00 O ATOM 1071 CB MET A 73 -1.711 -4.331 -11.027 1.00 0.00 C ATOM 1072 CG MET A 73 -2.854 -4.718 -11.951 1.00 0.00 C ATOM 1073 SD MET A 73 -4.464 -4.217 -11.311 1.00 0.00 S ATOM 1074 CE MET A 73 -4.533 -5.162 -9.791 1.00 0.00 C ATOM 0 H MET A 73 0.204 -3.404 -9.769 1.00 0.00 H new ATOM 0 HA MET A 73 -0.874 -2.845 -12.333 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.903 -5.053 -11.140 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.053 -4.394 -9.994 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.697 -4.261 -12.928 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.846 -5.798 -12.100 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.569 -5.416 -9.567 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.951 -6.077 -9.905 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.121 -4.569 -8.975 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.503 -1.645 -9.721 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.514 -0.677 -9.315 1.00 0.00 C ATOM 1086 C TYR A 74 -3.233 0.693 -9.926 1.00 0.00 C ATOM 1087 O TYR A 74 -4.130 1.339 -10.468 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.564 -0.568 -7.791 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.390 0.597 -7.293 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.983 1.907 -7.511 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.580 0.386 -6.606 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.735 2.974 -7.058 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.339 1.447 -6.151 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.912 2.739 -6.379 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.664 3.799 -5.927 1.00 0.00 O ATOM 0 H TYR A 74 -2.027 -2.107 -8.946 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.481 -1.026 -9.679 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.972 -1.493 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.548 -0.472 -7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.063 2.095 -8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.917 -0.624 -6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.403 3.986 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.262 1.266 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.608 3.647 -6.144 1.00 0.00 H new ATOM 1105 N CYS A 75 -1.981 1.128 -9.834 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.580 2.421 -10.376 1.00 0.00 C ATOM 1107 C CYS A 75 -1.742 2.448 -11.893 1.00 0.00 C ATOM 1108 O CYS A 75 -2.106 3.472 -12.469 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.129 2.726 -10.001 1.00 0.00 C ATOM 1110 SG CYS A 75 0.350 4.452 -10.248 1.00 0.00 S ATOM 0 H CYS A 75 -1.227 0.605 -9.389 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.228 3.185 -9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.028 2.463 -8.955 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.529 2.089 -10.592 1.00 0.00 H new ATOM 0 HG CYS A 75 1.593 4.611 -9.901 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.387 3.896 -5.622 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.227 3.669 -4.197 1.00 0.00 C ATOM 1187 C GLY A 81 -9.682 2.286 -3.776 1.00 0.00 C ATOM 1188 O GLY A 81 -10.166 2.098 -2.659 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.179 3.802 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.796 4.419 -3.647 1.00 0.00 H new ATOM 1192 N SER A 82 -9.530 1.316 -4.671 1.00 0.00 N ATOM 1193 CA SER A 82 -9.934 -0.056 -4.388 1.00 0.00 C ATOM 1194 C SER A 82 -8.886 -1.046 -4.888 1.00 0.00 C ATOM 1195 O SER A 82 -8.165 -0.772 -5.849 1.00 0.00 O ATOM 1196 CB SER A 82 -11.286 -0.356 -5.038 1.00 0.00 C ATOM 1197 OG SER A 82 -11.221 -0.204 -6.446 1.00 0.00 O ATOM 0 H SER A 82 -9.130 1.455 -5.599 1.00 0.00 H new ATOM 0 HA SER A 82 -10.025 -0.166 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.593 -1.373 -4.793 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.045 0.313 -4.632 1.00 0.00 H new ATOM 0 HG SER A 82 -12.097 -0.403 -6.837 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.807 -2.197 -4.230 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.848 -3.229 -4.607 1.00 0.00 C ATOM 1205 C LEU A 83 -8.527 -4.591 -4.714 1.00 0.00 C ATOM 1206 O LEU A 83 -9.111 -5.081 -3.748 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.710 -3.293 -3.586 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.372 -3.819 -4.104 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.460 -5.309 -4.395 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.944 -3.055 -5.349 1.00 0.00 C ATOM 0 H LEU A 83 -9.395 -2.439 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.438 -2.970 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.553 -2.292 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.029 -3.924 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.619 -3.665 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.498 -5.665 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.720 -5.843 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.226 -5.488 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.989 -3.443 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.697 -3.177 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.839 -1.997 -5.108 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.443 -5.196 -5.894 1.00 0.00 N ATOM 1223 CA GLN A 84 -9.049 -6.502 -6.127 1.00 0.00 C ATOM 1224 C GLN A 84 -7.979 -7.579 -6.276 1.00 0.00 C ATOM 1225 O GLN A 84 -6.936 -7.352 -6.889 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.929 -6.464 -7.377 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.873 -7.650 -7.492 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.622 -7.675 -8.810 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.078 -7.309 -9.853 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.877 -8.107 -8.771 1.00 0.00 N ATOM 0 H GLN A 84 -7.962 -4.803 -6.703 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.668 -6.747 -5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.514 -5.544 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.291 -6.431 -8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.304 -8.574 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.590 -7.619 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.288 -8.401 -7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.430 -8.145 -9.627 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.245 -8.752 -5.711 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.306 -9.865 -5.780 1.00 0.00 C ATOM 1241 C CYS A 85 -7.383 -10.559 -7.137 1.00 0.00 C ATOM 1242 O CYS A 85 -8.426 -11.075 -7.539 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.592 -10.871 -4.663 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.267 -12.094 -4.407 1.00 0.00 S ATOM 0 H CYS A 85 -9.104 -8.956 -5.200 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.299 -9.467 -5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.755 -10.328 -3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.519 -11.398 -4.891 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.446 -12.695 -3.268 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.253 -10.573 -7.859 1.00 0.00 N ATOM 1250 CA PRO A 86 -6.167 -11.201 -9.181 1.00 0.00 C ATOM 1251 C PRO A 86 -6.254 -12.721 -9.107 1.00 0.00 C ATOM 1252 O PRO A 86 -6.145 -13.409 -10.123 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.789 -10.768 -9.690 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.996 -10.503 -8.457 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.973 -9.977 -7.441 1.00 0.00 C ATOM 0 HA PRO A 86 -6.990 -10.901 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.328 -11.547 -10.297 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.859 -9.877 -10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.514 -11.413 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.205 -9.778 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.701 -10.277 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.015 -8.888 -7.450 1.00 0.00 H new ATOM 1263 N SER A 87 -6.452 -13.240 -7.900 1.00 0.00 N ATOM 1264 CA SER A 87 -6.551 -14.680 -7.694 1.00 0.00 C ATOM 1265 C SER A 87 -8.004 -15.104 -7.509 1.00 0.00 C ATOM 1266 O SER A 87 -8.515 -15.951 -8.242 1.00 0.00 O ATOM 1267 CB SER A 87 -5.726 -15.100 -6.475 1.00 0.00 C ATOM 1268 OG SER A 87 -5.825 -16.495 -6.248 1.00 0.00 O ATOM 0 H SER A 87 -6.547 -12.685 -7.050 1.00 0.00 H new ATOM 0 HA SER A 87 -6.156 -15.177 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.682 -14.826 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.072 -14.560 -5.594 1.00 0.00 H new ATOM 0 HG SER A 87 -5.964 -16.662 -5.292 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.667 -14.509 -6.522 1.00 0.00 N ATOM 1275 CA CYS A 88 -10.062 -14.823 -6.238 1.00 0.00 C ATOM 1276 C CYS A 88 -10.974 -13.673 -6.654 1.00 0.00 C ATOM 1277 O CYS A 88 -12.139 -13.616 -6.260 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.246 -15.122 -4.749 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.639 -13.805 -3.646 1.00 0.00 S ATOM 0 H CYS A 88 -8.260 -13.806 -5.905 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.335 -15.706 -6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.305 -15.288 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.727 -16.050 -4.509 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.722 -14.286 -2.859 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.437 -12.759 -7.455 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.201 -11.610 -7.927 1.00 0.00 C ATOM 1286 C LYS A 89 -12.112 -11.074 -6.828 1.00 0.00 C ATOM 1287 O LYS A 89 -13.316 -10.913 -7.028 1.00 0.00 O ATOM 1288 CB LYS A 89 -12.034 -11.995 -9.152 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.202 -12.481 -10.326 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.389 -11.352 -10.938 1.00 0.00 C ATOM 1291 CE LYS A 89 -11.222 -10.529 -11.909 1.00 0.00 C ATOM 1292 NZ LYS A 89 -11.597 -11.312 -13.119 1.00 0.00 N ATOM 0 H LYS A 89 -9.475 -12.792 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.497 -10.826 -8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.740 -12.776 -8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.622 -11.133 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.532 -13.275 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.857 -12.912 -11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.007 -10.707 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.524 -11.765 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.125 -10.180 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.661 -9.644 -12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.806 -10.661 -13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.809 -11.935 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.439 -11.887 -12.913 1.00 0.00 H new ATOM 1306 N THR A 90 -11.529 -10.796 -5.665 1.00 0.00 N ATOM 1307 CA THR A 90 -12.287 -10.277 -4.534 1.00 0.00 C ATOM 1308 C THR A 90 -12.023 -8.790 -4.331 1.00 0.00 C ATOM 1309 O THR A 90 -10.890 -8.380 -4.081 1.00 0.00 O ATOM 1310 CB THR A 90 -11.945 -11.030 -3.235 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.461 -12.364 -3.291 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.518 -10.309 -2.024 1.00 0.00 C ATOM 0 H THR A 90 -10.533 -10.922 -5.483 1.00 0.00 H new ATOM 0 HA THR A 90 -13.342 -10.427 -4.765 1.00 0.00 H new ATOM 0 HB THR A 90 -10.860 -11.065 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.721 -12.996 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.263 -10.860 -1.119 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.100 -9.304 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.602 -10.246 -2.117 1.00 0.00 H new ATOM 1320 N ILE A 91 -13.076 -7.986 -4.440 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.957 -6.544 -4.267 1.00 0.00 C ATOM 1322 C ILE A 91 -12.922 -6.169 -2.789 1.00 0.00 C ATOM 1323 O ILE A 91 -13.724 -6.660 -1.994 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.120 -5.797 -4.946 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.203 -6.177 -6.426 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.949 -4.294 -4.788 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.557 -5.905 -7.045 1.00 0.00 C ATOM 0 H ILE A 91 -14.021 -8.309 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.020 -6.246 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 91 -15.052 -6.089 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.443 -5.624 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.969 -7.236 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.779 -3.780 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.934 -4.039 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.011 -3.984 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.543 -6.198 -8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.320 -6.479 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.785 -4.842 -6.968 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.988 -5.296 -2.428 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.847 -4.856 -1.045 1.00 0.00 C ATOM 1341 C TYR A 92 -12.311 -3.411 -0.884 1.00 0.00 C ATOM 1342 O TYR A 92 -12.933 -3.055 0.116 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.393 -4.989 -0.591 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.905 -6.420 -0.534 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -10.014 -7.256 -1.638 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.337 -6.935 0.625 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.571 -8.564 -1.590 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.890 -8.241 0.681 1.00 0.00 C ATOM 1349 CZ TYR A 92 -9.009 -9.051 -0.429 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.566 -10.353 -0.376 1.00 0.00 O ATOM 0 H TYR A 92 -11.317 -4.879 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.475 -5.493 -0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.756 -4.423 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.286 -4.538 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.452 -6.877 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.243 -6.304 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.664 -9.201 -2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.450 -8.626 1.589 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.335 -10.960 -0.374 1.00 0.00 H new