USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 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 -149:sc= -0.589! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.758 K(o=0.05,f=-1.5!) USER MOD Set 1.3: A 85 CYS SG : rot 167:sc= 0.0306 USER MOD Set 1.4: A 88 CYS SG : rot -111:sc= 1.76 USER MOD Set 1.5: A 90 THR OG1 : rot 124:sc= 1.51 USER MOD Set 1.6: A 92 TYR OH : rot -11:sc= -1.9 USER MOD Set 2.1: A 45 THR OG1 : rot 178:sc= 0.588 USER MOD Set 2.2: A 47 SER OG : rot 58:sc= 0.0577 USER MOD Set 3.1: A 28 CYS SG : rot 120:sc= 0.696 USER MOD Set 3.2: A 31 CYS SG : rot -40:sc= -0.138 USER MOD Set 3.3: A 39 SER OG : rot 81:sc= 1.27 USER MOD Set 3.4: A 66 HIS : no HE2:sc= -2.97 K(o=-1.2,f=-5.4!) USER MOD Set 3.5: A 69 CYS SG : rot 150:sc= -0.0493 USER MOD Single : A 11 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.26) USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= -0.143 (180deg=-0.686) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 90:sc= -0.979 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -128:sc= 0 (180deg=-0.0477) 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 -90:sc= 0.132 USER MOD Single : A 44 MET CE :methyl 178:sc= -0.391 (180deg=-0.395) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -1.25 (180deg=-3.03!) 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+ 173:sc= -0.82 (180deg=-0.932) USER MOD Single : A 62 SER OG : rot -39:sc= 0.755 USER MOD Single : A 73 MET CE :methyl 146:sc= -0.697 (180deg=-2.32!) USER MOD Single : A 74 TYR OH : rot 143:sc= 0.178 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.000647 USER MOD Single : A 84 GLN : amide:sc= -3.36! K(o=-3.4!,f=-1.1) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.345 8.556 -0.866 1.00 0.00 N ATOM 67 CA GLU A 8 -2.430 7.858 -1.761 1.00 0.00 C ATOM 68 C GLU A 8 -2.830 6.393 -1.914 1.00 0.00 C ATOM 69 O GLU A 8 -3.489 5.810 -1.053 1.00 0.00 O ATOM 70 CB GLU A 8 -0.996 7.955 -1.238 1.00 0.00 C ATOM 71 CG GLU A 8 -0.379 9.334 -1.403 1.00 0.00 C ATOM 72 CD GLU A 8 1.135 9.310 -1.318 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.672 8.476 -0.559 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.782 10.125 -2.008 1.00 0.00 O ATOM 0 HA GLU A 8 -2.485 8.336 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.985 7.685 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.378 7.225 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.679 9.749 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.772 9.998 -0.633 1.00 0.00 H new ATOM 81 N PRO A 9 -2.422 5.783 -3.037 1.00 0.00 N ATOM 82 CA PRO A 9 -2.725 4.379 -3.331 1.00 0.00 C ATOM 83 C PRO A 9 -1.969 3.420 -2.418 1.00 0.00 C ATOM 84 O PRO A 9 -2.431 2.312 -2.148 1.00 0.00 O ATOM 85 CB PRO A 9 -2.265 4.213 -4.781 1.00 0.00 C ATOM 86 CG PRO A 9 -1.219 5.257 -4.969 1.00 0.00 C ATOM 87 CD PRO A 9 -1.633 6.417 -4.107 1.00 0.00 C ATOM 0 HA PRO A 9 -3.779 4.148 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.864 3.215 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.092 4.352 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.238 4.884 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.148 5.554 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.770 6.949 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.224 7.142 -4.666 1.00 0.00 H new ATOM 95 N GLU A 10 -0.804 3.854 -1.946 1.00 0.00 N ATOM 96 CA GLU A 10 0.016 3.032 -1.064 1.00 0.00 C ATOM 97 C GLU A 10 -0.771 2.611 0.174 1.00 0.00 C ATOM 98 O GLU A 10 -0.626 1.490 0.662 1.00 0.00 O ATOM 99 CB GLU A 10 1.276 3.792 -0.647 1.00 0.00 C ATOM 100 CG GLU A 10 2.323 3.884 -1.745 1.00 0.00 C ATOM 101 CD GLU A 10 3.402 4.904 -1.438 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.976 4.846 -0.330 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.672 5.761 -2.305 1.00 0.00 O ATOM 0 H GLU A 10 -0.408 4.769 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 10 0.306 2.135 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.997 4.799 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.715 3.302 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.783 2.906 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.837 4.147 -2.685 1.00 0.00 H new ATOM 110 N GLN A 11 -1.601 3.519 0.677 1.00 0.00 N ATOM 111 CA GLN A 11 -2.410 3.242 1.859 1.00 0.00 C ATOM 112 C GLN A 11 -3.453 2.170 1.566 1.00 0.00 C ATOM 113 O GLN A 11 -3.668 1.262 2.369 1.00 0.00 O ATOM 114 CB GLN A 11 -3.096 4.520 2.343 1.00 0.00 C ATOM 115 CG GLN A 11 -2.159 5.481 3.058 1.00 0.00 C ATOM 116 CD GLN A 11 -1.515 4.864 4.284 1.00 0.00 C ATOM 117 OE1 GLN A 11 -2.133 4.774 5.345 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.267 4.434 4.144 1.00 0.00 N ATOM 0 H GLN A 11 -1.731 4.452 0.285 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.749 2.874 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.542 5.029 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.911 4.253 3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.380 5.805 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.714 6.372 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.207 4.529 3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.218 4.009 4.934 1.00 0.00 H new ATOM 127 N VAL A 12 -4.101 2.282 0.410 1.00 0.00 N ATOM 128 CA VAL A 12 -5.123 1.321 0.011 1.00 0.00 C ATOM 129 C VAL A 12 -4.606 -0.109 0.122 1.00 0.00 C ATOM 130 O VAL A 12 -5.344 -1.017 0.507 1.00 0.00 O ATOM 131 CB VAL A 12 -5.596 1.573 -1.433 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.679 0.579 -1.822 1.00 0.00 C ATOM 133 CG2 VAL A 12 -6.092 3.003 -1.589 1.00 0.00 C ATOM 0 H VAL A 12 -3.936 3.028 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.965 1.454 0.690 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.749 1.431 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.000 0.773 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.285 -0.435 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.529 0.685 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.422 3.164 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.926 3.175 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.284 3.696 -1.355 1.00 0.00 H new ATOM 143 N ILE A 13 -3.336 -0.301 -0.215 1.00 0.00 N ATOM 144 CA ILE A 13 -2.720 -1.621 -0.151 1.00 0.00 C ATOM 145 C ILE A 13 -2.509 -2.059 1.294 1.00 0.00 C ATOM 146 O ILE A 13 -3.111 -3.031 1.753 1.00 0.00 O ATOM 147 CB ILE A 13 -1.367 -1.647 -0.887 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.551 -1.249 -2.352 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.735 -3.027 -0.783 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.484 -2.163 -3.115 1.00 0.00 C ATOM 0 H ILE A 13 -2.713 0.440 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.404 -2.313 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.699 -0.926 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.936 -0.230 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.578 -1.244 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.220 -3.030 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.574 -3.275 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.398 -3.766 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.567 -1.820 -4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.090 -3.179 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.469 -2.149 -2.648 1.00 0.00 H new ATOM 162 N ARG A 14 -1.652 -1.336 2.007 1.00 0.00 N ATOM 163 CA ARG A 14 -1.362 -1.650 3.401 1.00 0.00 C ATOM 164 C ARG A 14 -2.651 -1.861 4.190 1.00 0.00 C ATOM 165 O ARG A 14 -2.685 -2.632 5.149 1.00 0.00 O ATOM 166 CB ARG A 14 -0.538 -0.529 4.038 1.00 0.00 C ATOM 167 CG ARG A 14 0.963 -0.728 3.910 1.00 0.00 C ATOM 168 CD ARG A 14 1.459 -1.831 4.832 1.00 0.00 C ATOM 169 NE ARG A 14 2.828 -1.595 5.281 1.00 0.00 N ATOM 170 CZ ARG A 14 3.889 -1.697 4.489 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.739 -2.029 3.214 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.104 -1.466 4.971 1.00 0.00 N ATOM 0 H ARG A 14 -1.146 -0.529 1.642 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.785 -2.575 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.811 0.419 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.797 -0.454 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.212 -0.976 2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.476 0.204 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.801 -1.903 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.408 -2.788 4.313 1.00 0.00 H new ATOM 0 HE ARG A 14 2.978 -1.338 6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.807 -2.207 2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.556 -2.107 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.224 -1.210 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.918 -1.545 4.361 1.00 0.00 H new ATOM 186 N LYS A 15 -3.709 -1.169 3.781 1.00 0.00 N ATOM 187 CA LYS A 15 -5.000 -1.280 4.448 1.00 0.00 C ATOM 188 C LYS A 15 -5.653 -2.626 4.151 1.00 0.00 C ATOM 189 O LYS A 15 -6.397 -3.161 4.973 1.00 0.00 O ATOM 190 CB LYS A 15 -5.925 -0.144 4.005 1.00 0.00 C ATOM 191 CG LYS A 15 -7.367 -0.326 4.446 1.00 0.00 C ATOM 192 CD LYS A 15 -8.324 0.459 3.564 1.00 0.00 C ATOM 193 CE LYS A 15 -8.558 1.861 4.106 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.224 1.837 5.438 1.00 0.00 N ATOM 0 H LYS A 15 -3.697 -0.525 2.990 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.833 -1.207 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.548 0.797 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.894 -0.064 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.627 -1.384 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.476 -0.001 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.921 0.521 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.275 -0.070 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.605 2.383 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.172 2.424 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.779 2.707 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.855 1.012 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.503 1.774 6.185 1.00 0.00 H new ATOM 208 N TYR A 16 -5.368 -3.169 2.972 1.00 0.00 N ATOM 209 CA TYR A 16 -5.928 -4.452 2.567 1.00 0.00 C ATOM 210 C TYR A 16 -4.835 -5.509 2.443 1.00 0.00 C ATOM 211 O TYR A 16 -5.000 -6.514 1.750 1.00 0.00 O ATOM 212 CB TYR A 16 -6.670 -4.311 1.236 1.00 0.00 C ATOM 213 CG TYR A 16 -7.766 -3.271 1.261 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.539 -3.075 2.399 1.00 0.00 C ATOM 215 CD2 TYR A 16 -8.029 -2.483 0.147 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.543 -2.126 2.426 1.00 0.00 C ATOM 217 CE2 TYR A 16 -9.029 -1.530 0.166 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.784 -1.356 1.307 1.00 0.00 C ATOM 219 OH TYR A 16 -10.782 -0.409 1.330 1.00 0.00 O ATOM 0 H TYR A 16 -4.753 -2.740 2.281 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.632 -4.771 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.954 -4.053 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.102 -5.275 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.352 -3.675 3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.441 -2.618 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.136 -1.988 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.219 -0.924 -0.708 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.820 0.047 0.463 1.00 0.00 H new ATOM 229 N THR A 17 -3.715 -5.275 3.121 1.00 0.00 N ATOM 230 CA THR A 17 -2.594 -6.205 3.088 1.00 0.00 C ATOM 231 C THR A 17 -1.876 -6.248 4.432 1.00 0.00 C ATOM 232 O THR A 17 -1.641 -5.213 5.054 1.00 0.00 O ATOM 233 CB THR A 17 -1.582 -5.826 1.991 1.00 0.00 C ATOM 234 OG1 THR A 17 -0.979 -4.563 2.295 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.259 -5.755 0.631 1.00 0.00 C ATOM 0 H THR A 17 -3.561 -4.449 3.699 1.00 0.00 H new ATOM 0 HA THR A 17 -3.007 -7.189 2.867 1.00 0.00 H new ATOM 0 HB THR A 17 -0.812 -6.597 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.173 -4.707 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.524 -5.486 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.692 -6.726 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.047 -5.003 0.656 1.00 0.00 H new ATOM 243 N GLU A 18 -1.529 -7.453 4.874 1.00 0.00 N ATOM 244 CA GLU A 18 -0.838 -7.630 6.146 1.00 0.00 C ATOM 245 C GLU A 18 0.591 -8.117 5.925 1.00 0.00 C ATOM 246 O GLU A 18 0.834 -9.315 5.784 1.00 0.00 O ATOM 247 CB GLU A 18 -1.596 -8.622 7.031 1.00 0.00 C ATOM 248 CG GLU A 18 -1.108 -8.650 8.470 1.00 0.00 C ATOM 249 CD GLU A 18 -1.356 -9.986 9.143 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.473 -10.525 9.000 1.00 0.00 O ATOM 251 OE2 GLU A 18 -0.432 -10.491 9.814 1.00 0.00 O ATOM 0 H GLU A 18 -1.715 -8.320 4.370 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.801 -6.663 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.656 -8.369 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.503 -9.621 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.041 -8.428 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.609 -7.864 9.035 1.00 0.00 H new ATOM 258 N GLU A 19 1.533 -7.179 5.896 1.00 0.00 N ATOM 259 CA GLU A 19 2.937 -7.513 5.691 1.00 0.00 C ATOM 260 C GLU A 19 3.383 -8.606 6.658 1.00 0.00 C ATOM 261 O GLU A 19 3.044 -8.581 7.842 1.00 0.00 O ATOM 262 CB GLU A 19 3.811 -6.270 5.871 1.00 0.00 C ATOM 263 CG GLU A 19 5.274 -6.501 5.528 1.00 0.00 C ATOM 264 CD GLU A 19 6.208 -5.625 6.341 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.947 -5.440 7.548 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.199 -5.124 5.770 1.00 0.00 O ATOM 0 H GLU A 19 1.349 -6.182 6.012 1.00 0.00 H new ATOM 0 HA GLU A 19 3.051 -7.884 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.421 -5.468 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.738 -5.931 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.523 -7.548 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.430 -6.306 4.467 1.00 0.00 H new ATOM 273 N LEU A 20 4.145 -9.566 6.145 1.00 0.00 N ATOM 274 CA LEU A 20 4.638 -10.670 6.962 1.00 0.00 C ATOM 275 C LEU A 20 6.140 -10.543 7.199 1.00 0.00 C ATOM 276 O LEU A 20 6.900 -10.233 6.282 1.00 0.00 O ATOM 277 CB LEU A 20 4.327 -12.007 6.288 1.00 0.00 C ATOM 278 CG LEU A 20 2.884 -12.205 5.824 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.683 -13.617 5.295 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.914 -11.917 6.960 1.00 0.00 C ATOM 0 H LEU A 20 4.435 -9.602 5.168 1.00 0.00 H new ATOM 0 HA LEU A 20 4.132 -10.631 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.983 -12.117 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.577 -12.808 6.983 1.00 0.00 H new ATOM 0 HG LEU A 20 2.683 -11.503 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.650 -13.740 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.352 -13.788 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.902 -14.336 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.892 -12.063 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.115 -12.594 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.040 -10.887 7.294 1.00 0.00 H new ATOM 292 N LYS A 21 6.562 -10.789 8.435 1.00 0.00 N ATOM 293 CA LYS A 21 7.973 -10.706 8.793 1.00 0.00 C ATOM 294 C LYS A 21 8.853 -11.223 7.659 1.00 0.00 C ATOM 295 O LYS A 21 9.931 -10.687 7.404 1.00 0.00 O ATOM 296 CB LYS A 21 8.244 -11.507 10.069 1.00 0.00 C ATOM 297 CG LYS A 21 9.577 -11.181 10.719 1.00 0.00 C ATOM 298 CD LYS A 21 9.540 -11.427 12.219 1.00 0.00 C ATOM 299 CE LYS A 21 9.732 -12.899 12.547 1.00 0.00 C ATOM 300 NZ LYS A 21 10.002 -13.114 13.995 1.00 0.00 N ATOM 0 H LYS A 21 5.946 -11.048 9.206 1.00 0.00 H new ATOM 0 HA LYS A 21 8.217 -9.658 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.444 -11.317 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.214 -12.571 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.361 -11.790 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.832 -10.139 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.320 -10.840 12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.587 -11.085 12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.840 -13.455 12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.560 -13.297 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.127 -14.130 14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.867 -12.604 14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.201 -12.758 14.554 1.00 0.00 H new ATOM 314 N VAL A 22 8.385 -12.266 6.981 1.00 0.00 N ATOM 315 CA VAL A 22 9.128 -12.853 5.872 1.00 0.00 C ATOM 316 C VAL A 22 8.188 -13.497 4.860 1.00 0.00 C ATOM 317 O VAL A 22 7.321 -14.293 5.222 1.00 0.00 O ATOM 318 CB VAL A 22 10.134 -13.909 6.368 1.00 0.00 C ATOM 319 CG1 VAL A 22 9.409 -15.052 7.063 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.976 -14.425 5.211 1.00 0.00 C ATOM 0 H VAL A 22 7.495 -12.722 7.180 1.00 0.00 H new ATOM 0 HA VAL A 22 9.673 -12.041 5.390 1.00 0.00 H new ATOM 0 HB VAL A 22 10.800 -13.440 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.136 -15.788 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.853 -14.665 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.718 -15.523 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.682 -15.170 5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.327 -14.878 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.524 -13.597 4.762 1.00 0.00 H new ATOM 330 N ALA A 23 8.366 -13.149 3.590 1.00 0.00 N ATOM 331 CA ALA A 23 7.535 -13.696 2.525 1.00 0.00 C ATOM 332 C ALA A 23 7.200 -15.161 2.786 1.00 0.00 C ATOM 333 O ALA A 23 8.072 -15.979 3.079 1.00 0.00 O ATOM 334 CB ALA A 23 8.232 -13.544 1.181 1.00 0.00 C ATOM 0 H ALA A 23 9.078 -12.491 3.274 1.00 0.00 H new ATOM 0 HA ALA A 23 6.601 -13.135 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.600 -13.957 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.414 -12.488 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.182 -14.078 1.201 1.00 0.00 H new ATOM 340 N PRO A 24 5.907 -15.501 2.679 1.00 0.00 N ATOM 341 CA PRO A 24 5.428 -16.869 2.901 1.00 0.00 C ATOM 342 C PRO A 24 5.872 -17.824 1.798 1.00 0.00 C ATOM 343 O PRO A 24 6.570 -17.428 0.865 1.00 0.00 O ATOM 344 CB PRO A 24 3.905 -16.716 2.894 1.00 0.00 C ATOM 345 CG PRO A 24 3.650 -15.495 2.080 1.00 0.00 C ATOM 346 CD PRO A 24 4.814 -14.578 2.333 1.00 0.00 C ATOM 0 HA PRO A 24 5.823 -17.295 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.421 -17.590 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.514 -16.606 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.570 -15.741 1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.711 -15.023 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.055 -13.982 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.606 -13.879 3.144 1.00 0.00 H new ATOM 354 N GLU A 25 5.463 -19.084 1.913 1.00 0.00 N ATOM 355 CA GLU A 25 5.820 -20.095 0.925 1.00 0.00 C ATOM 356 C GLU A 25 4.795 -20.138 -0.205 1.00 0.00 C ATOM 357 O GLU A 25 4.515 -21.198 -0.763 1.00 0.00 O ATOM 358 CB GLU A 25 5.924 -21.471 1.585 1.00 0.00 C ATOM 359 CG GLU A 25 7.197 -21.664 2.392 1.00 0.00 C ATOM 360 CD GLU A 25 8.438 -21.230 1.637 1.00 0.00 C ATOM 361 OE1 GLU A 25 8.786 -20.033 1.704 1.00 0.00 O ATOM 362 OE2 GLU A 25 9.061 -22.089 0.978 1.00 0.00 O ATOM 0 H GLU A 25 4.885 -19.428 2.680 1.00 0.00 H new ATOM 0 HA GLU A 25 6.789 -19.827 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.064 -21.617 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.873 -22.239 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.124 -21.097 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.292 -22.714 2.667 1.00 0.00 H new ATOM 369 N GLU A 26 4.238 -18.976 -0.536 1.00 0.00 N ATOM 370 CA GLU A 26 3.244 -18.882 -1.598 1.00 0.00 C ATOM 371 C GLU A 26 3.883 -18.415 -2.902 1.00 0.00 C ATOM 372 O GLU A 26 5.088 -18.171 -2.963 1.00 0.00 O ATOM 373 CB GLU A 26 2.124 -17.920 -1.193 1.00 0.00 C ATOM 374 CG GLU A 26 1.066 -18.556 -0.307 1.00 0.00 C ATOM 375 CD GLU A 26 -0.286 -17.883 -0.436 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.596 -17.384 -1.539 1.00 0.00 O ATOM 377 OE2 GLU A 26 -1.033 -17.853 0.564 1.00 0.00 O ATOM 0 H GLU A 26 4.458 -18.089 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 26 2.823 -19.875 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.559 -17.068 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.647 -17.532 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.968 -19.611 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.392 -18.510 0.732 1.00 0.00 H new ATOM 384 N ASP A 27 3.067 -18.293 -3.943 1.00 0.00 N ATOM 385 CA ASP A 27 3.552 -17.855 -5.247 1.00 0.00 C ATOM 386 C ASP A 27 2.716 -16.694 -5.776 1.00 0.00 C ATOM 387 O ASP A 27 1.498 -16.660 -5.597 1.00 0.00 O ATOM 388 CB ASP A 27 3.522 -19.017 -6.242 1.00 0.00 C ATOM 389 CG ASP A 27 3.723 -20.361 -5.570 1.00 0.00 C ATOM 390 OD1 ASP A 27 4.704 -20.503 -4.810 1.00 0.00 O ATOM 391 OD2 ASP A 27 2.900 -21.269 -5.804 1.00 0.00 O ATOM 0 H ASP A 27 2.067 -18.491 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 27 4.581 -17.514 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.567 -19.016 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.299 -18.869 -6.992 1.00 0.00 H new ATOM 396 N CYS A 28 3.377 -15.744 -6.428 1.00 0.00 N ATOM 397 CA CYS A 28 2.697 -14.580 -6.981 1.00 0.00 C ATOM 398 C CYS A 28 2.284 -14.829 -8.429 1.00 0.00 C ATOM 399 O CYS A 28 3.127 -15.081 -9.291 1.00 0.00 O ATOM 400 CB CYS A 28 3.601 -13.348 -6.902 1.00 0.00 C ATOM 401 SG CYS A 28 2.913 -11.867 -7.709 1.00 0.00 S ATOM 0 H CYS A 28 4.385 -15.758 -6.586 1.00 0.00 H new ATOM 0 HA CYS A 28 1.799 -14.401 -6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.796 -13.120 -5.854 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.561 -13.585 -7.360 1.00 0.00 H new ATOM 0 HG CYS A 28 2.784 -10.915 -6.833 1.00 0.00 H new ATOM 406 N ILE A 29 0.983 -14.756 -8.689 1.00 0.00 N ATOM 407 CA ILE A 29 0.459 -14.971 -10.032 1.00 0.00 C ATOM 408 C ILE A 29 0.603 -13.717 -10.886 1.00 0.00 C ATOM 409 O ILE A 29 0.703 -13.795 -12.111 1.00 0.00 O ATOM 410 CB ILE A 29 -1.023 -15.389 -9.998 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.864 -14.307 -9.317 1.00 0.00 C ATOM 412 CG2 ILE A 29 -1.182 -16.721 -9.280 1.00 0.00 C ATOM 413 CD1 ILE A 29 -3.323 -14.335 -9.718 1.00 0.00 C ATOM 0 H ILE A 29 0.272 -14.550 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 29 1.045 -15.777 -10.474 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.376 -15.507 -11.023 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.790 -14.427 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.448 -13.329 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.235 -17.003 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.609 -17.487 -9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.816 -16.629 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.859 -13.541 -9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.407 -14.184 -10.794 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.755 -15.300 -9.452 1.00 0.00 H new ATOM 425 N ILE A 30 0.614 -12.560 -10.232 1.00 0.00 N ATOM 426 CA ILE A 30 0.749 -11.288 -10.932 1.00 0.00 C ATOM 427 C ILE A 30 2.032 -11.247 -11.755 1.00 0.00 C ATOM 428 O ILE A 30 2.019 -10.866 -12.925 1.00 0.00 O ATOM 429 CB ILE A 30 0.743 -10.102 -9.949 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.562 -10.078 -9.151 1.00 0.00 C ATOM 431 CG2 ILE A 30 0.936 -8.793 -10.699 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.567 -9.062 -8.031 1.00 0.00 C ATOM 0 H ILE A 30 0.531 -12.477 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.109 -11.201 -11.598 1.00 0.00 H new ATOM 0 HB ILE A 30 1.571 -10.224 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.389 -9.864 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.741 -11.069 -8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.930 -7.964 -9.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.890 -8.813 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.127 -8.663 -11.418 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.523 -9.101 -7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.238 -9.287 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.420 -8.064 -8.444 1.00 0.00 H new ATOM 444 N CYS A 31 3.138 -11.643 -11.135 1.00 0.00 N ATOM 445 CA CYS A 31 4.431 -11.653 -11.809 1.00 0.00 C ATOM 446 C CYS A 31 4.937 -13.081 -11.995 1.00 0.00 C ATOM 447 O CYS A 31 6.069 -13.298 -12.424 1.00 0.00 O ATOM 448 CB CYS A 31 5.452 -10.839 -11.013 1.00 0.00 C ATOM 449 SG CYS A 31 5.845 -11.536 -9.376 1.00 0.00 S ATOM 0 H CYS A 31 3.165 -11.961 -10.166 1.00 0.00 H new ATOM 0 HA CYS A 31 4.303 -11.200 -12.792 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.371 -10.762 -11.593 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.071 -9.826 -10.883 1.00 0.00 H new ATOM 0 HG CYS A 31 4.759 -11.995 -8.828 1.00 0.00 H new ATOM 454 N MET A 32 4.088 -14.051 -11.669 1.00 0.00 N ATOM 455 CA MET A 32 4.448 -15.457 -11.801 1.00 0.00 C ATOM 456 C MET A 32 5.860 -15.708 -11.280 1.00 0.00 C ATOM 457 O MET A 32 6.707 -16.244 -11.993 1.00 0.00 O ATOM 458 CB MET A 32 4.346 -15.897 -13.263 1.00 0.00 C ATOM 459 CG MET A 32 5.153 -15.031 -14.216 1.00 0.00 C ATOM 460 SD MET A 32 4.943 -15.514 -15.940 1.00 0.00 S ATOM 461 CE MET A 32 3.328 -14.825 -16.292 1.00 0.00 C ATOM 0 H MET A 32 3.147 -13.888 -11.312 1.00 0.00 H new ATOM 0 HA MET A 32 3.749 -16.043 -11.203 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.685 -16.929 -13.348 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.299 -15.879 -13.567 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.855 -13.990 -14.096 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.209 -15.093 -13.951 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.688 -15.597 -16.719 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.882 -14.454 -15.369 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.429 -14.004 -17.002 1.00 0.00 H new ATOM 471 N GLU A 33 6.104 -15.318 -10.033 1.00 0.00 N ATOM 472 CA GLU A 33 7.414 -15.500 -9.419 1.00 0.00 C ATOM 473 C GLU A 33 7.276 -15.950 -7.967 1.00 0.00 C ATOM 474 O GLU A 33 6.198 -15.865 -7.379 1.00 0.00 O ATOM 475 CB GLU A 33 8.219 -14.201 -9.488 1.00 0.00 C ATOM 476 CG GLU A 33 8.698 -13.855 -10.888 1.00 0.00 C ATOM 477 CD GLU A 33 10.029 -13.128 -10.886 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.023 -13.712 -10.407 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.076 -11.975 -11.363 1.00 0.00 O ATOM 0 H GLU A 33 5.412 -14.874 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 33 7.942 -16.276 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.606 -13.383 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.082 -14.283 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.789 -14.770 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.950 -13.234 -11.381 1.00 0.00 H new ATOM 486 N LYS A 34 8.376 -16.428 -7.396 1.00 0.00 N ATOM 487 CA LYS A 34 8.381 -16.891 -6.013 1.00 0.00 C ATOM 488 C LYS A 34 8.576 -15.725 -5.049 1.00 0.00 C ATOM 489 O LYS A 34 9.593 -15.032 -5.096 1.00 0.00 O ATOM 490 CB LYS A 34 9.486 -17.930 -5.805 1.00 0.00 C ATOM 491 CG LYS A 34 9.033 -19.358 -6.055 1.00 0.00 C ATOM 492 CD LYS A 34 10.202 -20.328 -6.017 1.00 0.00 C ATOM 493 CE LYS A 34 10.724 -20.517 -4.601 1.00 0.00 C ATOM 494 NZ LYS A 34 11.457 -21.804 -4.448 1.00 0.00 N ATOM 0 H LYS A 34 9.276 -16.505 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 34 7.415 -17.351 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.319 -17.700 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.861 -17.850 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.297 -19.644 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.539 -19.420 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.891 -21.291 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.004 -19.958 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.385 -19.690 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.890 -20.488 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.797 -21.896 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.819 -22.595 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.268 -21.821 -5.099 1.00 0.00 H new ATOM 508 N LEU A 35 7.598 -15.515 -4.176 1.00 0.00 N ATOM 509 CA LEU A 35 7.663 -14.434 -3.199 1.00 0.00 C ATOM 510 C LEU A 35 9.066 -14.315 -2.611 1.00 0.00 C ATOM 511 O LEU A 35 9.536 -13.216 -2.319 1.00 0.00 O ATOM 512 CB LEU A 35 6.647 -14.668 -2.080 1.00 0.00 C ATOM 513 CG LEU A 35 5.193 -14.842 -2.520 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.361 -15.434 -1.393 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.610 -13.510 -2.972 1.00 0.00 C ATOM 0 H LEU A 35 6.750 -16.079 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 35 7.422 -13.502 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.946 -15.557 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.698 -13.827 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 35 5.169 -15.532 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.329 -15.550 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.765 -16.408 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.392 -14.769 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.575 -13.652 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.648 -12.798 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.190 -13.125 -3.811 1.00 0.00 H new ATOM 527 N ALA A 36 9.729 -15.454 -2.442 1.00 0.00 N ATOM 528 CA ALA A 36 11.079 -15.478 -1.893 1.00 0.00 C ATOM 529 C ALA A 36 11.964 -14.434 -2.567 1.00 0.00 C ATOM 530 O ALA A 36 12.709 -13.715 -1.902 1.00 0.00 O ATOM 531 CB ALA A 36 11.687 -16.864 -2.045 1.00 0.00 C ATOM 0 H ALA A 36 9.353 -16.372 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 36 11.017 -15.235 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.695 -16.867 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.074 -17.591 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.728 -17.129 -3.101 1.00 0.00 H new ATOM 537 N VAL A 37 11.877 -14.356 -3.891 1.00 0.00 N ATOM 538 CA VAL A 37 12.669 -13.400 -4.655 1.00 0.00 C ATOM 539 C VAL A 37 11.980 -12.042 -4.718 1.00 0.00 C ATOM 540 O VAL A 37 10.869 -11.874 -4.216 1.00 0.00 O ATOM 541 CB VAL A 37 12.925 -13.901 -6.088 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.521 -15.300 -6.067 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.638 -13.873 -6.900 1.00 0.00 C ATOM 0 H VAL A 37 11.265 -14.944 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 37 13.624 -13.296 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 37 13.643 -13.234 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.695 -15.637 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.466 -15.285 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.830 -15.983 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.837 -14.230 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.896 -14.516 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.258 -12.852 -6.945 1.00 0.00 H new ATOM 553 N ALA A 38 12.646 -11.074 -5.340 1.00 0.00 N ATOM 554 CA ALA A 38 12.096 -9.731 -5.472 1.00 0.00 C ATOM 555 C ALA A 38 10.811 -9.742 -6.293 1.00 0.00 C ATOM 556 O ALA A 38 10.359 -10.795 -6.741 1.00 0.00 O ATOM 557 CB ALA A 38 13.121 -8.801 -6.104 1.00 0.00 C ATOM 0 H ALA A 38 13.567 -11.196 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 38 11.855 -9.364 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.697 -7.801 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.011 -8.761 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.390 -9.174 -7.092 1.00 0.00 H new ATOM 563 N SER A 39 10.228 -8.563 -6.486 1.00 0.00 N ATOM 564 CA SER A 39 8.992 -8.438 -7.250 1.00 0.00 C ATOM 565 C SER A 39 9.288 -8.191 -8.726 1.00 0.00 C ATOM 566 O SER A 39 10.286 -7.562 -9.074 1.00 0.00 O ATOM 567 CB SER A 39 8.136 -7.299 -6.692 1.00 0.00 C ATOM 568 OG SER A 39 7.075 -6.979 -7.575 1.00 0.00 O ATOM 0 H SER A 39 10.591 -7.681 -6.124 1.00 0.00 H new ATOM 0 HA SER A 39 8.442 -9.375 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.732 -7.586 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.757 -6.418 -6.531 1.00 0.00 H new ATOM 0 HG SER A 39 6.345 -7.621 -7.455 1.00 0.00 H new ATOM 574 N GLY A 40 8.412 -8.693 -9.591 1.00 0.00 N ATOM 575 CA GLY A 40 8.596 -8.517 -11.020 1.00 0.00 C ATOM 576 C GLY A 40 8.565 -7.059 -11.433 1.00 0.00 C ATOM 577 O GLY A 40 9.206 -6.670 -12.410 1.00 0.00 O ATOM 0 H GLY A 40 7.578 -9.218 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.549 -8.956 -11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.815 -9.059 -11.553 1.00 0.00 H new ATOM 581 N TYR A 41 7.816 -6.251 -10.691 1.00 0.00 N ATOM 582 CA TYR A 41 7.701 -4.828 -10.989 1.00 0.00 C ATOM 583 C TYR A 41 8.677 -4.014 -10.145 1.00 0.00 C ATOM 584 O TYR A 41 8.655 -2.784 -10.164 1.00 0.00 O ATOM 585 CB TYR A 41 6.270 -4.348 -10.738 1.00 0.00 C ATOM 586 CG TYR A 41 5.246 -5.000 -11.639 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.702 -6.239 -11.323 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.822 -4.377 -12.807 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.767 -6.839 -12.144 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.886 -4.969 -13.633 1.00 0.00 C ATOM 591 CZ TYR A 41 3.362 -6.200 -13.297 1.00 0.00 C ATOM 592 OH TYR A 41 2.429 -6.793 -14.117 1.00 0.00 O ATOM 0 H TYR A 41 7.280 -6.557 -9.879 1.00 0.00 H new ATOM 0 HA TYR A 41 7.948 -4.681 -12.040 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.006 -4.546 -9.699 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.228 -3.268 -10.877 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.016 -6.742 -10.420 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.231 -3.414 -13.073 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.355 -7.803 -11.884 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.566 -4.471 -14.536 1.00 0.00 H new ATOM 0 HH TYR A 41 2.253 -6.212 -14.886 1.00 0.00 H new ATOM 602 N SER A 42 9.535 -4.711 -9.407 1.00 0.00 N ATOM 603 CA SER A 42 10.519 -4.055 -8.554 1.00 0.00 C ATOM 604 C SER A 42 11.074 -2.804 -9.228 1.00 0.00 C ATOM 605 O SER A 42 10.933 -1.694 -8.715 1.00 0.00 O ATOM 606 CB SER A 42 11.659 -5.018 -8.220 1.00 0.00 C ATOM 607 OG SER A 42 12.302 -5.474 -9.398 1.00 0.00 O ATOM 0 H SER A 42 9.569 -5.730 -9.383 1.00 0.00 H new ATOM 0 HA SER A 42 10.022 -3.758 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.384 -4.520 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.269 -5.869 -7.662 1.00 0.00 H new ATOM 0 HG SER A 42 11.868 -6.295 -9.711 1.00 0.00 H new ATOM 613 N ASP A 43 11.707 -2.993 -10.381 1.00 0.00 N ATOM 614 CA ASP A 43 12.284 -1.882 -11.128 1.00 0.00 C ATOM 615 C ASP A 43 11.193 -0.942 -11.633 1.00 0.00 C ATOM 616 O ASP A 43 11.258 0.269 -11.425 1.00 0.00 O ATOM 617 CB ASP A 43 13.110 -2.404 -12.304 1.00 0.00 C ATOM 618 CG ASP A 43 14.203 -3.358 -11.866 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.913 -3.039 -10.890 1.00 0.00 O ATOM 620 OD2 ASP A 43 14.346 -4.425 -12.498 1.00 0.00 O ATOM 0 H ASP A 43 11.833 -3.906 -10.818 1.00 0.00 H new ATOM 0 HA ASP A 43 12.936 -1.324 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.452 -2.910 -13.010 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.557 -1.562 -12.832 1.00 0.00 H new ATOM 625 N MET A 44 10.192 -1.509 -12.299 1.00 0.00 N ATOM 626 CA MET A 44 9.087 -0.722 -12.833 1.00 0.00 C ATOM 627 C MET A 44 8.650 0.348 -11.838 1.00 0.00 C ATOM 628 O MET A 44 8.571 1.530 -12.175 1.00 0.00 O ATOM 629 CB MET A 44 7.905 -1.630 -13.176 1.00 0.00 C ATOM 630 CG MET A 44 6.910 -0.996 -14.135 1.00 0.00 C ATOM 631 SD MET A 44 5.858 0.230 -13.335 1.00 0.00 S ATOM 632 CE MET A 44 4.582 -0.819 -12.643 1.00 0.00 C ATOM 0 H MET A 44 10.124 -2.510 -12.482 1.00 0.00 H new ATOM 0 HA MET A 44 9.432 -0.228 -13.741 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.282 -2.554 -13.615 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.388 -1.902 -12.256 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.452 -0.525 -14.955 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.285 -1.775 -14.572 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.872 -0.209 -12.085 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.060 -1.337 -13.448 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.036 -1.551 -11.975 1.00 0.00 H new ATOM 642 N THR A 45 8.367 -0.074 -10.609 1.00 0.00 N ATOM 643 CA THR A 45 7.937 0.848 -9.565 1.00 0.00 C ATOM 644 C THR A 45 8.996 0.979 -8.477 1.00 0.00 C ATOM 645 O THR A 45 9.358 -0.003 -7.828 1.00 0.00 O ATOM 646 CB THR A 45 6.612 0.392 -8.925 1.00 0.00 C ATOM 647 OG1 THR A 45 6.150 1.381 -7.998 1.00 0.00 O ATOM 648 CG2 THR A 45 6.787 -0.939 -8.208 1.00 0.00 C ATOM 0 H THR A 45 8.428 -1.048 -10.313 1.00 0.00 H new ATOM 0 HA THR A 45 7.788 1.817 -10.040 1.00 0.00 H new ATOM 0 HB THR A 45 5.875 0.266 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.291 1.099 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.838 -1.241 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.111 -1.697 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.537 -0.834 -7.424 1.00 0.00 H new ATOM 656 N ASP A 46 9.488 2.197 -8.280 1.00 0.00 N ATOM 657 CA ASP A 46 10.505 2.457 -7.268 1.00 0.00 C ATOM 658 C ASP A 46 9.867 2.938 -5.968 1.00 0.00 C ATOM 659 O ASP A 46 10.445 3.748 -5.244 1.00 0.00 O ATOM 660 CB ASP A 46 11.505 3.496 -7.774 1.00 0.00 C ATOM 661 CG ASP A 46 12.542 3.859 -6.730 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.237 2.944 -6.240 1.00 0.00 O ATOM 663 OD2 ASP A 46 12.659 5.059 -6.402 1.00 0.00 O ATOM 0 H ASP A 46 9.199 3.020 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 46 11.032 1.524 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.007 3.111 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.968 4.395 -8.077 1.00 0.00 H new ATOM 668 N SER A 47 8.672 2.433 -5.679 1.00 0.00 N ATOM 669 CA SER A 47 7.953 2.815 -4.469 1.00 0.00 C ATOM 670 C SER A 47 8.900 2.889 -3.275 1.00 0.00 C ATOM 671 O SER A 47 9.741 2.011 -3.079 1.00 0.00 O ATOM 672 CB SER A 47 6.829 1.818 -4.182 1.00 0.00 C ATOM 673 OG SER A 47 5.841 1.858 -5.197 1.00 0.00 O ATOM 0 H SER A 47 8.181 1.758 -6.266 1.00 0.00 H new ATOM 0 HA SER A 47 7.521 3.803 -4.629 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.241 0.811 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.374 2.046 -3.218 1.00 0.00 H new ATOM 0 HG SER A 47 6.255 1.667 -6.064 1.00 0.00 H new ATOM 679 N LYS A 48 8.758 3.943 -2.479 1.00 0.00 N ATOM 680 CA LYS A 48 9.598 4.134 -1.303 1.00 0.00 C ATOM 681 C LYS A 48 9.059 3.342 -0.115 1.00 0.00 C ATOM 682 O LYS A 48 9.741 2.472 0.423 1.00 0.00 O ATOM 683 CB LYS A 48 9.680 5.619 -0.945 1.00 0.00 C ATOM 684 CG LYS A 48 10.490 6.439 -1.934 1.00 0.00 C ATOM 685 CD LYS A 48 11.977 6.153 -1.810 1.00 0.00 C ATOM 686 CE LYS A 48 12.608 6.958 -0.684 1.00 0.00 C ATOM 687 NZ LYS A 48 12.291 6.384 0.653 1.00 0.00 N ATOM 0 H LYS A 48 8.068 4.679 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 48 10.597 3.768 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.671 6.027 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.121 5.721 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.159 6.217 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.307 7.500 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.130 5.089 -1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.474 6.390 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.689 6.987 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.253 7.988 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.117 6.481 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.483 6.892 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.051 5.377 0.550 1.00 0.00 H new ATOM 701 N ALA A 49 7.830 3.650 0.286 1.00 0.00 N ATOM 702 CA ALA A 49 7.199 2.966 1.408 1.00 0.00 C ATOM 703 C ALA A 49 7.205 1.455 1.202 1.00 0.00 C ATOM 704 O ALA A 49 7.755 0.710 2.014 1.00 0.00 O ATOM 705 CB ALA A 49 5.776 3.468 1.599 1.00 0.00 C ATOM 0 H ALA A 49 7.252 4.369 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 49 7.774 3.187 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.317 2.949 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.792 4.539 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.198 3.276 0.695 1.00 0.00 H new ATOM 711 N LEU A 50 6.590 1.008 0.112 1.00 0.00 N ATOM 712 CA LEU A 50 6.524 -0.415 -0.200 1.00 0.00 C ATOM 713 C LEU A 50 7.886 -0.939 -0.644 1.00 0.00 C ATOM 714 O LEU A 50 8.867 -0.198 -0.676 1.00 0.00 O ATOM 715 CB LEU A 50 5.486 -0.670 -1.294 1.00 0.00 C ATOM 716 CG LEU A 50 4.039 -0.323 -0.940 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.193 -0.214 -2.199 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.458 -1.362 0.007 1.00 0.00 C ATOM 0 H LEU A 50 6.130 1.611 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 50 6.228 -0.946 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.770 -0.098 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.529 -1.724 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 50 4.030 0.644 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.167 0.033 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.597 0.568 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.208 -1.165 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.428 -1.099 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.480 -2.342 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.049 -1.391 0.922 1.00 0.00 H new ATOM 730 N GLY A 51 7.938 -2.222 -0.988 1.00 0.00 N ATOM 731 CA GLY A 51 9.183 -2.823 -1.428 1.00 0.00 C ATOM 732 C GLY A 51 8.963 -3.995 -2.364 1.00 0.00 C ATOM 733 O GLY A 51 7.933 -4.668 -2.319 1.00 0.00 O ATOM 0 H GLY A 51 7.139 -2.856 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.789 -2.069 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.748 -3.158 -0.558 1.00 0.00 H new ATOM 737 N PRO A 52 9.948 -4.253 -3.237 1.00 0.00 N ATOM 738 CA PRO A 52 9.880 -5.352 -4.205 1.00 0.00 C ATOM 739 C PRO A 52 9.980 -6.720 -3.537 1.00 0.00 C ATOM 740 O PRO A 52 9.465 -7.711 -4.052 1.00 0.00 O ATOM 741 CB PRO A 52 11.092 -5.107 -5.106 1.00 0.00 C ATOM 742 CG PRO A 52 12.048 -4.342 -4.256 1.00 0.00 C ATOM 743 CD PRO A 52 11.204 -3.493 -3.347 1.00 0.00 C ATOM 0 HA PRO A 52 8.930 -5.366 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.529 -6.046 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.815 -4.543 -5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.685 -5.015 -3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.706 -3.725 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.676 -3.354 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.037 -2.500 -3.765 1.00 0.00 H new ATOM 751 N MET A 53 10.647 -6.765 -2.389 1.00 0.00 N ATOM 752 CA MET A 53 10.813 -8.011 -1.650 1.00 0.00 C ATOM 753 C MET A 53 9.735 -8.158 -0.582 1.00 0.00 C ATOM 754 O MET A 53 9.169 -9.236 -0.400 1.00 0.00 O ATOM 755 CB MET A 53 12.199 -8.065 -1.003 1.00 0.00 C ATOM 756 CG MET A 53 13.336 -8.150 -2.009 1.00 0.00 C ATOM 757 SD MET A 53 14.777 -9.015 -1.356 1.00 0.00 S ATOM 758 CE MET A 53 14.655 -10.578 -2.223 1.00 0.00 C ATOM 0 H MET A 53 11.081 -5.953 -1.950 1.00 0.00 H new ATOM 0 HA MET A 53 10.716 -8.837 -2.355 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.337 -7.178 -0.385 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.247 -8.928 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.985 -8.661 -2.905 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.626 -7.143 -2.309 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.480 -11.225 -1.925 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.709 -11.059 -1.975 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.702 -10.403 -3.298 1.00 0.00 H new ATOM 768 N VAL A 54 9.454 -7.067 0.124 1.00 0.00 N ATOM 769 CA VAL A 54 8.442 -7.074 1.174 1.00 0.00 C ATOM 770 C VAL A 54 7.103 -7.575 0.643 1.00 0.00 C ATOM 771 O VAL A 54 6.555 -7.021 -0.310 1.00 0.00 O ATOM 772 CB VAL A 54 8.250 -5.671 1.778 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.609 -4.736 0.765 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.416 -5.748 3.048 1.00 0.00 C ATOM 0 H VAL A 54 9.913 -6.167 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 54 8.797 -7.750 1.952 1.00 0.00 H new ATOM 0 HB VAL A 54 9.229 -5.269 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.481 -3.749 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.249 -4.657 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.636 -5.130 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.290 -4.747 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.438 -6.171 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.921 -6.381 3.777 1.00 0.00 H new ATOM 784 N VAL A 55 6.581 -8.626 1.267 1.00 0.00 N ATOM 785 CA VAL A 55 5.305 -9.201 0.859 1.00 0.00 C ATOM 786 C VAL A 55 4.333 -9.270 2.032 1.00 0.00 C ATOM 787 O VAL A 55 4.744 -9.372 3.187 1.00 0.00 O ATOM 788 CB VAL A 55 5.487 -10.614 0.274 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.158 -11.161 -0.223 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.519 -10.598 -0.844 1.00 0.00 C ATOM 0 H VAL A 55 7.022 -9.097 2.057 1.00 0.00 H new ATOM 0 HA VAL A 55 4.895 -8.547 0.089 1.00 0.00 H new ATOM 0 HB VAL A 55 5.850 -11.272 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.306 -12.160 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.452 -11.210 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.762 -10.506 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.635 -11.604 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.187 -9.927 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.475 -10.251 -0.452 1.00 0.00 H new ATOM 800 N GLY A 56 3.040 -9.213 1.727 1.00 0.00 N ATOM 801 CA GLY A 56 2.029 -9.271 2.766 1.00 0.00 C ATOM 802 C GLY A 56 0.769 -9.978 2.310 1.00 0.00 C ATOM 803 O GLY A 56 0.389 -9.893 1.142 1.00 0.00 O ATOM 0 H GLY A 56 2.675 -9.128 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.436 -9.786 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.779 -8.258 3.083 1.00 0.00 H new ATOM 807 N ARG A 57 0.118 -10.679 3.234 1.00 0.00 N ATOM 808 CA ARG A 57 -1.105 -11.406 2.919 1.00 0.00 C ATOM 809 C ARG A 57 -2.333 -10.529 3.149 1.00 0.00 C ATOM 810 O ARG A 57 -2.462 -9.883 4.189 1.00 0.00 O ATOM 811 CB ARG A 57 -1.204 -12.673 3.771 1.00 0.00 C ATOM 812 CG ARG A 57 -0.556 -13.890 3.130 1.00 0.00 C ATOM 813 CD ARG A 57 -0.946 -15.172 3.848 1.00 0.00 C ATOM 814 NE ARG A 57 -0.141 -15.394 5.046 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.536 -16.146 6.068 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.719 -16.744 6.037 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.253 -16.301 7.123 1.00 0.00 N ATOM 0 H ARG A 57 0.418 -10.758 4.206 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.071 -11.686 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.735 -12.489 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.255 -12.890 3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.854 -13.953 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.528 -13.778 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.000 -15.128 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.828 -16.017 3.170 1.00 0.00 H new ATOM 0 HE ARG A 57 0.774 -14.948 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.328 -16.627 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.020 -17.321 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.164 -15.843 7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.051 -16.878 7.907 1.00 0.00 H new ATOM 831 N LEU A 58 -3.232 -10.511 2.170 1.00 0.00 N ATOM 832 CA LEU A 58 -4.449 -9.713 2.265 1.00 0.00 C ATOM 833 C LEU A 58 -5.178 -9.986 3.577 1.00 0.00 C ATOM 834 O LEU A 58 -4.794 -10.871 4.342 1.00 0.00 O ATOM 835 CB LEU A 58 -5.373 -10.014 1.083 1.00 0.00 C ATOM 836 CG LEU A 58 -4.960 -9.413 -0.261 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.373 -10.327 -1.404 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.568 -8.029 -0.436 1.00 0.00 C ATOM 0 H LEU A 58 -3.141 -11.040 1.302 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.167 -8.660 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.443 -11.096 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.372 -9.654 1.328 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.874 -9.315 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.071 -9.883 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.890 -11.297 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.455 -10.457 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.263 -7.617 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.655 -8.102 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.222 -7.376 0.365 1.00 0.00 H new ATOM 850 N THR A 59 -6.236 -9.221 3.830 1.00 0.00 N ATOM 851 CA THR A 59 -7.020 -9.380 5.048 1.00 0.00 C ATOM 852 C THR A 59 -8.388 -9.981 4.747 1.00 0.00 C ATOM 853 O THR A 59 -9.091 -10.435 5.650 1.00 0.00 O ATOM 854 CB THR A 59 -7.212 -8.034 5.773 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.918 -7.119 4.928 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.870 -7.436 6.167 1.00 0.00 C ATOM 0 H THR A 59 -6.569 -8.485 3.207 1.00 0.00 H new ATOM 0 HA THR A 59 -6.463 -10.057 5.696 1.00 0.00 H new ATOM 0 HB THR A 59 -7.792 -8.213 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.038 -6.267 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.031 -6.486 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.347 -8.122 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.269 -7.270 5.273 1.00 0.00 H new ATOM 864 N LYS A 60 -8.761 -9.982 3.471 1.00 0.00 N ATOM 865 CA LYS A 60 -10.044 -10.530 3.049 1.00 0.00 C ATOM 866 C LYS A 60 -9.919 -12.012 2.710 1.00 0.00 C ATOM 867 O LYS A 60 -10.541 -12.860 3.349 1.00 0.00 O ATOM 868 CB LYS A 60 -10.576 -9.761 1.837 1.00 0.00 C ATOM 869 CG LYS A 60 -12.090 -9.790 1.715 1.00 0.00 C ATOM 870 CD LYS A 60 -12.622 -8.518 1.077 1.00 0.00 C ATOM 871 CE LYS A 60 -12.943 -7.462 2.123 1.00 0.00 C ATOM 872 NZ LYS A 60 -11.763 -7.150 2.976 1.00 0.00 N ATOM 0 H LYS A 60 -8.192 -9.609 2.711 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.746 -10.424 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.245 -8.725 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.139 -10.180 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.391 -10.651 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.533 -9.916 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.885 -8.125 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.519 -8.746 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.284 -6.553 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.763 -7.810 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.986 -6.345 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.526 -7.979 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.952 -6.907 2.372 1.00 0.00 H new ATOM 886 N CYS A 61 -9.110 -12.316 1.701 1.00 0.00 N ATOM 887 CA CYS A 61 -8.901 -13.695 1.277 1.00 0.00 C ATOM 888 C CYS A 61 -7.604 -14.252 1.855 1.00 0.00 C ATOM 889 O CYS A 61 -7.244 -15.403 1.607 1.00 0.00 O ATOM 890 CB CYS A 61 -8.870 -13.782 -0.251 1.00 0.00 C ATOM 891 SG CYS A 61 -7.867 -12.488 -1.049 1.00 0.00 S ATOM 0 H CYS A 61 -8.588 -11.625 1.161 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.731 -14.293 1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.481 -14.758 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.891 -13.720 -0.629 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.366 -12.210 -2.217 1.00 0.00 H new ATOM 896 N SER A 62 -6.905 -13.427 2.628 1.00 0.00 N ATOM 897 CA SER A 62 -5.645 -13.835 3.239 1.00 0.00 C ATOM 898 C SER A 62 -4.715 -14.457 2.203 1.00 0.00 C ATOM 899 O SER A 62 -4.081 -15.482 2.456 1.00 0.00 O ATOM 900 CB SER A 62 -5.903 -14.830 4.372 1.00 0.00 C ATOM 901 OG SER A 62 -6.172 -16.125 3.863 1.00 0.00 O ATOM 0 H SER A 62 -7.190 -12.472 2.846 1.00 0.00 H new ATOM 0 HA SER A 62 -5.163 -12.947 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.036 -14.868 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.746 -14.490 4.974 1.00 0.00 H new ATOM 0 HG SER A 62 -6.721 -16.051 3.055 1.00 0.00 H new ATOM 907 N HIS A 63 -4.637 -13.828 1.034 1.00 0.00 N ATOM 908 CA HIS A 63 -3.783 -14.319 -0.043 1.00 0.00 C ATOM 909 C HIS A 63 -2.481 -13.526 -0.107 1.00 0.00 C ATOM 910 O HIS A 63 -2.493 -12.297 -0.147 1.00 0.00 O ATOM 911 CB HIS A 63 -4.515 -14.230 -1.382 1.00 0.00 C ATOM 912 CG HIS A 63 -5.564 -15.283 -1.563 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.364 -15.364 -2.683 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.941 -16.305 -0.759 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.189 -16.388 -2.559 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.952 -16.976 -1.400 1.00 0.00 N ATOM 0 H HIS A 63 -5.154 -12.978 0.808 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.543 -15.362 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.980 -13.248 -1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.788 -14.311 -2.190 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.524 -16.547 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.931 -16.693 -3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.441 -17.796 -1.040 1.00 0.00 H new ATOM 924 N ALA A 64 -1.360 -14.240 -0.115 1.00 0.00 N ATOM 925 CA ALA A 64 -0.050 -13.604 -0.176 1.00 0.00 C ATOM 926 C ALA A 64 0.199 -12.989 -1.549 1.00 0.00 C ATOM 927 O ALA A 64 -0.147 -13.575 -2.574 1.00 0.00 O ATOM 928 CB ALA A 64 1.041 -14.609 0.160 1.00 0.00 C ATOM 0 H ALA A 64 -1.333 -15.259 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.029 -12.802 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.014 -14.120 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.881 -14.997 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.011 -15.431 -0.555 1.00 0.00 H new ATOM 934 N PHE A 65 0.801 -11.804 -1.561 1.00 0.00 N ATOM 935 CA PHE A 65 1.094 -11.109 -2.809 1.00 0.00 C ATOM 936 C PHE A 65 2.112 -9.995 -2.584 1.00 0.00 C ATOM 937 O PHE A 65 2.054 -9.276 -1.585 1.00 0.00 O ATOM 938 CB PHE A 65 -0.189 -10.529 -3.408 1.00 0.00 C ATOM 939 CG PHE A 65 -0.934 -11.498 -4.280 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.504 -11.761 -5.571 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.065 -12.146 -3.810 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.188 -12.653 -6.376 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.752 -13.038 -4.610 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.314 -13.292 -5.895 1.00 0.00 C ATOM 0 H PHE A 65 1.095 -11.305 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 65 1.519 -11.831 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.843 -10.203 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.060 -9.644 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.375 -11.264 -5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.413 -11.951 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.842 -12.850 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.632 -13.537 -4.231 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.851 -13.989 -6.522 1.00 0.00 H new ATOM 954 N HIS A 66 3.047 -9.858 -3.519 1.00 0.00 N ATOM 955 CA HIS A 66 4.079 -8.831 -3.425 1.00 0.00 C ATOM 956 C HIS A 66 3.461 -7.461 -3.164 1.00 0.00 C ATOM 957 O HIS A 66 2.895 -6.842 -4.067 1.00 0.00 O ATOM 958 CB HIS A 66 4.910 -8.794 -4.708 1.00 0.00 C ATOM 959 CG HIS A 66 5.835 -9.962 -4.857 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.520 -11.081 -5.599 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.073 -10.181 -4.356 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.524 -11.938 -5.546 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.479 -11.416 -4.798 1.00 0.00 N ATOM 0 H HIS A 66 3.111 -10.445 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 66 4.730 -9.081 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.238 -8.762 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.494 -7.874 -4.726 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.648 -11.224 -6.109 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.637 -9.509 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.558 -12.902 -6.032 1.00 0.00 H new ATOM 971 N LEU A 67 3.571 -6.993 -1.926 1.00 0.00 N ATOM 972 CA LEU A 67 3.023 -5.696 -1.547 1.00 0.00 C ATOM 973 C LEU A 67 3.249 -4.665 -2.648 1.00 0.00 C ATOM 974 O LEU A 67 2.495 -3.699 -2.774 1.00 0.00 O ATOM 975 CB LEU A 67 3.658 -5.213 -0.242 1.00 0.00 C ATOM 976 CG LEU A 67 3.390 -6.072 0.994 1.00 0.00 C ATOM 977 CD1 LEU A 67 4.090 -5.490 2.212 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.894 -6.194 1.244 1.00 0.00 C ATOM 0 H LEU A 67 4.035 -7.493 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 67 1.949 -5.813 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.736 -5.149 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.303 -4.202 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 67 3.791 -7.069 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.887 -6.115 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.165 -5.456 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.721 -4.481 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.722 -6.809 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.470 -5.203 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.417 -6.658 0.381 1.00 0.00 H new ATOM 990 N LEU A 68 4.291 -4.878 -3.445 1.00 0.00 N ATOM 991 CA LEU A 68 4.616 -3.969 -4.538 1.00 0.00 C ATOM 992 C LEU A 68 3.739 -4.245 -5.755 1.00 0.00 C ATOM 993 O LEU A 68 3.085 -3.344 -6.280 1.00 0.00 O ATOM 994 CB LEU A 68 6.092 -4.103 -4.917 1.00 0.00 C ATOM 995 CG LEU A 68 6.643 -3.032 -5.859 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.995 -1.771 -5.086 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.858 -3.556 -6.610 1.00 0.00 C ATOM 0 H LEU A 68 4.925 -5.672 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 68 4.425 -2.950 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.684 -4.093 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.240 -5.078 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 68 5.870 -2.783 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.385 -1.020 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.102 -1.384 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.750 -2.003 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.237 -2.780 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.635 -3.833 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.574 -4.430 -7.196 1.00 0.00 H new ATOM 1009 N CYS A 69 3.730 -5.498 -6.199 1.00 0.00 N ATOM 1010 CA CYS A 69 2.932 -5.895 -7.353 1.00 0.00 C ATOM 1011 C CYS A 69 1.515 -5.338 -7.253 1.00 0.00 C ATOM 1012 O CYS A 69 1.027 -4.684 -8.175 1.00 0.00 O ATOM 1013 CB CYS A 69 2.885 -7.420 -7.466 1.00 0.00 C ATOM 1014 SG CYS A 69 4.421 -8.166 -8.101 1.00 0.00 S ATOM 0 H CYS A 69 4.267 -6.256 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 69 3.402 -5.485 -8.247 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.669 -7.840 -6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.060 -7.700 -8.121 1.00 0.00 H new ATOM 0 HG CYS A 69 4.565 -9.356 -7.599 1.00 0.00 H new ATOM 1019 N LEU A 70 0.860 -5.601 -6.127 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.501 -5.126 -5.905 1.00 0.00 C ATOM 1021 C LEU A 70 -0.623 -3.644 -6.246 1.00 0.00 C ATOM 1022 O LEU A 70 -1.588 -3.220 -6.883 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.914 -5.363 -4.452 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.002 -6.824 -4.008 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.938 -6.926 -2.492 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.279 -7.464 -4.534 1.00 0.00 C ATOM 0 H LEU A 70 1.250 -6.141 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.167 -5.686 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.203 -4.850 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.886 -4.896 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.150 -7.363 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.002 -7.973 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.003 -6.505 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.769 -6.373 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.326 -8.503 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.143 -6.924 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.284 -7.424 -5.623 1.00 0.00 H new ATOM 1038 N LEU A 71 0.362 -2.862 -5.818 1.00 0.00 N ATOM 1039 CA LEU A 71 0.366 -1.426 -6.080 1.00 0.00 C ATOM 1040 C LEU A 71 0.579 -1.144 -7.564 1.00 0.00 C ATOM 1041 O LEU A 71 -0.114 -0.315 -8.153 1.00 0.00 O ATOM 1042 CB LEU A 71 1.460 -0.742 -5.257 1.00 0.00 C ATOM 1043 CG LEU A 71 1.591 0.770 -5.442 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.738 1.509 -4.423 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.048 1.196 -5.330 1.00 0.00 C ATOM 0 H LEU A 71 1.167 -3.197 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.605 -1.025 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.274 -0.944 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.416 -1.203 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 71 1.233 1.027 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.844 2.584 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.307 1.227 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.064 1.247 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.123 2.275 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.432 0.925 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.634 0.693 -6.099 1.00 0.00 H new ATOM 1057 N ALA A 72 1.539 -1.841 -8.162 1.00 0.00 N ATOM 1058 CA ALA A 72 1.840 -1.668 -9.578 1.00 0.00 C ATOM 1059 C ALA A 72 0.607 -1.928 -10.436 1.00 0.00 C ATOM 1060 O ALA A 72 0.384 -1.251 -11.440 1.00 0.00 O ATOM 1061 CB ALA A 72 2.978 -2.589 -9.992 1.00 0.00 C ATOM 0 H ALA A 72 2.122 -2.531 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 72 2.149 -0.635 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.192 -2.449 -11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.868 -2.353 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.691 -3.625 -9.814 1.00 0.00 H new ATOM 1067 N MET A 73 -0.191 -2.913 -10.036 1.00 0.00 N ATOM 1068 CA MET A 73 -1.402 -3.261 -10.769 1.00 0.00 C ATOM 1069 C MET A 73 -2.507 -2.242 -10.510 1.00 0.00 C ATOM 1070 O MET A 73 -3.246 -1.868 -11.421 1.00 0.00 O ATOM 1071 CB MET A 73 -1.879 -4.660 -10.373 1.00 0.00 C ATOM 1072 CG MET A 73 -2.839 -5.281 -11.375 1.00 0.00 C ATOM 1073 SD MET A 73 -3.914 -6.522 -10.629 1.00 0.00 S ATOM 1074 CE MET A 73 -4.575 -5.605 -9.239 1.00 0.00 C ATOM 0 H MET A 73 -0.020 -3.484 -9.208 1.00 0.00 H new ATOM 0 HA MET A 73 -1.167 -3.252 -11.833 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.013 -5.312 -10.260 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.367 -4.607 -9.400 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.451 -4.497 -11.821 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.269 -5.738 -12.183 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.602 -5.918 -9.052 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.969 -5.799 -8.354 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.556 -4.539 -9.464 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.614 -1.797 -9.263 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.630 -0.823 -8.884 1.00 0.00 C ATOM 1086 C TYR A 74 -3.456 0.478 -9.662 1.00 0.00 C ATOM 1087 O TYR A 74 -4.428 1.063 -10.141 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.565 -0.544 -7.382 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.275 0.725 -6.970 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.775 1.972 -7.325 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.448 0.678 -6.226 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.421 3.134 -6.950 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.102 1.835 -5.848 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.584 3.061 -6.212 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.231 4.216 -5.837 1.00 0.00 O ATOM 0 H TYR A 74 -2.009 -2.095 -8.498 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.606 -1.243 -9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.003 -1.386 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.520 -0.481 -7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.866 2.034 -7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.856 -0.280 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.017 4.095 -7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.013 1.780 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.200 4.077 -5.880 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.210 0.924 -9.784 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.906 2.156 -10.503 1.00 0.00 C ATOM 1107 C CYS A 75 -2.423 2.090 -11.937 1.00 0.00 C ATOM 1108 O CYS A 75 -2.948 3.070 -12.463 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.398 2.412 -10.503 1.00 0.00 C ATOM 1110 SG CYS A 75 0.056 4.146 -10.734 1.00 0.00 S ATOM 0 H CYS A 75 -1.395 0.451 -9.394 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.407 2.979 -9.993 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.019 2.061 -9.559 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.060 1.819 -11.294 1.00 0.00 H new ATOM 0 HG CYS A 75 1.351 4.261 -10.717 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.506 4.363 -5.779 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.547 3.962 -4.385 1.00 0.00 C ATOM 1187 C GLY A 81 -10.110 2.567 -4.198 1.00 0.00 C ATOM 1188 O GLY A 81 -10.976 2.348 -3.352 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.540 4.003 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.153 4.673 -3.824 1.00 0.00 H new ATOM 1192 N SER A 82 -9.618 1.621 -4.992 1.00 0.00 N ATOM 1193 CA SER A 82 -10.081 0.241 -4.914 1.00 0.00 C ATOM 1194 C SER A 82 -8.971 -0.728 -5.309 1.00 0.00 C ATOM 1195 O SER A 82 -8.157 -0.434 -6.186 1.00 0.00 O ATOM 1196 CB SER A 82 -11.297 0.037 -5.820 1.00 0.00 C ATOM 1197 OG SER A 82 -11.726 -1.313 -5.802 1.00 0.00 O ATOM 0 H SER A 82 -8.899 1.785 -5.696 1.00 0.00 H new ATOM 0 HA SER A 82 -10.367 0.038 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.111 0.685 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.047 0.329 -6.840 1.00 0.00 H new ATOM 0 HG SER A 82 -12.505 -1.416 -6.387 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.944 -1.884 -4.656 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.934 -2.899 -4.938 1.00 0.00 C ATOM 1205 C LEU A 83 -8.561 -4.287 -5.012 1.00 0.00 C ATOM 1206 O LEU A 83 -9.119 -4.778 -4.031 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.845 -2.875 -3.864 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.578 -3.673 -4.174 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.924 -5.120 -4.491 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.817 -3.039 -5.329 1.00 0.00 C ATOM 0 H LEU A 83 -9.610 -2.142 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.487 -2.672 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.562 -1.838 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.271 -3.254 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.937 -3.658 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.010 -5.673 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.425 -5.570 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.585 -5.155 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.918 -3.620 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.450 -3.022 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.537 -2.020 -5.064 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.464 -4.913 -6.180 1.00 0.00 N ATOM 1223 CA GLN A 84 -9.022 -6.246 -6.380 1.00 0.00 C ATOM 1224 C GLN A 84 -7.921 -7.302 -6.382 1.00 0.00 C ATOM 1225 O GLN A 84 -6.789 -7.032 -6.784 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.802 -6.303 -7.694 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.512 -7.628 -7.923 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.169 -7.709 -9.287 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.019 -6.811 -10.116 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.904 -8.789 -9.526 1.00 0.00 N ATOM 0 H GLN A 84 -8.005 -4.520 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.701 -6.456 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.538 -5.499 -7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.117 -6.119 -8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.795 -8.443 -7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.268 -7.769 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.001 -9.509 -8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.372 -8.899 -10.426 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.261 -8.504 -5.931 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.302 -9.601 -5.879 1.00 0.00 C ATOM 1241 C CYS A 85 -7.323 -10.404 -7.177 1.00 0.00 C ATOM 1242 O CYS A 85 -8.349 -10.954 -7.580 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.609 -10.519 -4.694 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.284 -11.710 -4.313 1.00 0.00 S ATOM 0 H CYS A 85 -9.194 -8.744 -5.596 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.307 -9.175 -5.752 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.796 -9.906 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.528 -11.068 -4.902 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.500 -12.240 -3.146 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.164 -10.473 -7.849 1.00 0.00 N ATOM 1250 CA PRO A 86 -6.023 -11.206 -9.110 1.00 0.00 C ATOM 1251 C PRO A 86 -6.115 -12.716 -8.917 1.00 0.00 C ATOM 1252 O PRO A 86 -5.960 -13.483 -9.867 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.626 -10.812 -9.595 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.885 -10.446 -8.355 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.902 -9.842 -7.428 1.00 0.00 C ATOM 0 HA PRO A 86 -6.818 -10.962 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.141 -11.637 -10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.670 -9.975 -10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.419 -11.323 -7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.086 -9.737 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.673 -10.058 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.942 -8.757 -7.527 1.00 0.00 H new ATOM 1263 N SER A 87 -6.367 -13.135 -7.681 1.00 0.00 N ATOM 1264 CA SER A 87 -6.476 -14.554 -7.363 1.00 0.00 C ATOM 1265 C SER A 87 -7.938 -14.972 -7.234 1.00 0.00 C ATOM 1266 O SER A 87 -8.409 -15.856 -7.950 1.00 0.00 O ATOM 1267 CB SER A 87 -5.729 -14.866 -6.065 1.00 0.00 C ATOM 1268 OG SER A 87 -5.472 -16.255 -5.945 1.00 0.00 O ATOM 0 H SER A 87 -6.499 -12.513 -6.884 1.00 0.00 H new ATOM 0 HA SER A 87 -6.025 -15.119 -8.179 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.788 -14.316 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.318 -14.527 -5.213 1.00 0.00 H new ATOM 0 HG SER A 87 -4.992 -16.428 -5.108 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.651 -14.329 -6.316 1.00 0.00 N ATOM 1275 CA CYS A 88 -10.060 -14.632 -6.091 1.00 0.00 C ATOM 1276 C CYS A 88 -10.950 -13.521 -6.640 1.00 0.00 C ATOM 1277 O CYS A 88 -12.141 -13.456 -6.336 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.329 -14.824 -4.597 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.765 -13.439 -3.556 1.00 0.00 S ATOM 0 H CYS A 88 -8.277 -13.595 -5.715 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.296 -15.556 -6.618 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.399 -14.965 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.837 -15.738 -4.265 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.757 -13.824 -2.830 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.363 -12.648 -7.453 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.101 -11.540 -8.047 1.00 0.00 C ATOM 1286 C LYS A 89 -12.010 -10.877 -7.018 1.00 0.00 C ATOM 1287 O LYS A 89 -13.159 -10.543 -7.311 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.932 -12.033 -9.235 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.104 -12.343 -10.470 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.576 -11.075 -11.120 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.766 -11.385 -12.369 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.453 -12.006 -12.038 1.00 0.00 N ATOM 0 H LYS A 89 -9.378 -12.687 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.379 -10.802 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.477 -12.929 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.675 -11.276 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.269 -12.988 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.711 -12.895 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.410 -10.423 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.955 -10.531 -10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.334 -12.057 -13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.602 -10.467 -12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.690 -11.471 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.312 -11.991 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.439 -12.990 -12.375 1.00 0.00 H new ATOM 1306 N THR A 90 -11.489 -10.687 -5.809 1.00 0.00 N ATOM 1307 CA THR A 90 -12.253 -10.063 -4.737 1.00 0.00 C ATOM 1308 C THR A 90 -11.890 -8.590 -4.588 1.00 0.00 C ATOM 1309 O THR A 90 -10.732 -8.247 -4.349 1.00 0.00 O ATOM 1310 CB THR A 90 -12.017 -10.776 -3.391 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.438 -12.142 -3.481 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.774 -10.080 -2.270 1.00 0.00 C ATOM 0 H THR A 90 -10.540 -10.957 -5.549 1.00 0.00 H new ATOM 0 HA THR A 90 -13.305 -10.150 -5.007 1.00 0.00 H new ATOM 0 HB THR A 90 -10.951 -10.738 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.690 -12.731 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.592 -10.601 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.432 -9.049 -2.185 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.841 -10.091 -2.490 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.887 -7.723 -4.730 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.672 -6.286 -4.609 1.00 0.00 C ATOM 1322 C ILE A 91 -12.743 -5.840 -3.153 1.00 0.00 C ATOM 1323 O ILE A 91 -13.516 -6.384 -2.363 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.707 -5.492 -5.429 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.674 -5.930 -6.894 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.442 -3.999 -5.310 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.710 -6.978 -7.235 1.00 0.00 C ATOM 0 H ILE A 91 -13.851 -7.990 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.675 -6.081 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.701 -5.698 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.829 -5.058 -7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.683 -6.321 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.181 -3.451 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.511 -3.699 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.444 -3.776 -5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.628 -7.241 -8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -14.543 -7.866 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.706 -6.583 -7.036 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.933 -4.847 -2.805 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.903 -4.327 -1.443 1.00 0.00 C ATOM 1341 C TYR A 92 -12.512 -2.930 -1.379 1.00 0.00 C ATOM 1342 O TYR A 92 -13.151 -2.563 -0.393 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.466 -4.293 -0.919 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.878 -5.664 -0.675 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.876 -6.629 -1.675 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.325 -5.996 0.556 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.341 -7.884 -1.456 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.786 -7.247 0.783 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.796 -8.188 -0.226 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.261 -9.436 -0.004 1.00 0.00 O ATOM 0 H TYR A 92 -11.288 -4.386 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.497 -4.991 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.840 -3.760 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.441 -3.725 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.300 -6.394 -2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.317 -5.263 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.350 -8.623 -2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.359 -7.488 1.745 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.496 -10.030 -0.747 1.00 0.00 H new