USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 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 74 CYS SG : rot 89:sc= 0.075 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.152 X(o=-0.077,f=0.075) USER MOD Set 2.1: A 67 CYS SG : rot 136:sc= 2.14 USER MOD Set 2.2: A 70 CYS SG : rot -41:sc= 1.5 USER MOD Set 2.3: A 83 HIS : no HE2:sc= 0.697 K(o=4.3,f=-1.9) USER MOD Set 2.4: A 88 HIS : no HD1:sc= 0.002 K(o=4.3,f=-2.7) USER MOD Set 3.1: A 40 CYS SG : rot 124:sc= 2.08 USER MOD Set 3.2: A 43 CYS SG : rot -44:sc= 1.17 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.178 K(o=3.8,f=-1.8) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.366 K(o=3.8,f=-2.1) USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 47 SER OG : rot -140:sc= 1.82 USER MOD Set 4.3: A 52 ASN : amide:sc= 0.633 K(o=2.5,f=1.6) USER MOD Set 5.1: A 23 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.032) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 12 CYS SG : rot 110:sc= 1.6 USER MOD Set 6.2: A 15 CYS SG : rot -43:sc= 1.31 USER MOD Set 6.3: A 28 HIS : no HD1:sc= 0.188 K(o=3.1,f=-0.5) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= 0.027 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0395 X(o=-0.039,f=-0.47) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.079) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 15.615 16.527 -5.461 1.00 0.00 N ATOM 110 CA PHE A 10 15.938 15.206 -6.021 1.00 0.00 C ATOM 111 C PHE A 10 14.986 14.864 -7.182 1.00 0.00 C ATOM 112 O PHE A 10 13.780 15.081 -7.073 1.00 0.00 O ATOM 113 CB PHE A 10 15.900 14.165 -4.887 1.00 0.00 C ATOM 114 CG PHE A 10 16.789 14.518 -3.704 1.00 0.00 C ATOM 115 CD1 PHE A 10 16.293 15.337 -2.671 1.00 0.00 C ATOM 116 CD2 PHE A 10 18.126 14.075 -3.656 1.00 0.00 C ATOM 117 CE1 PHE A 10 17.125 15.718 -1.603 1.00 0.00 C ATOM 118 CE2 PHE A 10 18.960 14.462 -2.591 1.00 0.00 C ATOM 119 CZ PHE A 10 18.458 15.277 -1.562 1.00 0.00 C ATOM 0 HA PHE A 10 16.943 15.206 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.873 14.057 -4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 10 16.206 13.197 -5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.267 15.674 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 10 18.511 13.437 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 10 16.740 16.349 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 10 19.988 14.132 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.097 15.564 -0.740 1.00 0.00 H new ATOM 129 N THR A 11 15.505 14.345 -8.301 1.00 0.00 N ATOM 130 CA THR A 11 14.744 14.173 -9.555 1.00 0.00 C ATOM 131 C THR A 11 14.957 12.786 -10.175 1.00 0.00 C ATOM 132 O THR A 11 16.089 12.304 -10.254 1.00 0.00 O ATOM 133 CB THR A 11 15.131 15.272 -10.564 1.00 0.00 C ATOM 134 OG1 THR A 11 15.012 16.558 -9.987 1.00 0.00 O ATOM 135 CG2 THR A 11 14.241 15.288 -11.802 1.00 0.00 C ATOM 0 H THR A 11 16.472 14.028 -8.367 1.00 0.00 H new ATOM 0 HA THR A 11 13.686 14.260 -9.310 1.00 0.00 H new ATOM 0 HB THR A 11 16.159 15.041 -10.844 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.265 17.237 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.565 16.084 -12.473 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.314 14.329 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.207 15.463 -11.505 1.00 0.00 H new ATOM 143 N CYS A 12 13.873 12.160 -10.645 1.00 0.00 N ATOM 144 CA CYS A 12 13.874 10.880 -11.354 1.00 0.00 C ATOM 145 C CYS A 12 14.446 11.018 -12.776 1.00 0.00 C ATOM 146 O CYS A 12 14.077 11.923 -13.528 1.00 0.00 O ATOM 147 CB CYS A 12 12.437 10.346 -11.345 1.00 0.00 C ATOM 148 SG CYS A 12 12.343 8.728 -12.172 1.00 0.00 S ATOM 0 H CYS A 12 12.936 12.548 -10.537 1.00 0.00 H new ATOM 0 HA CYS A 12 14.529 10.167 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.085 10.255 -10.318 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.778 11.055 -11.847 1.00 0.00 H new ATOM 0 HG CYS A 12 12.112 7.802 -11.289 1.00 0.00 H new ATOM 153 N GLU A 13 15.333 10.098 -13.162 1.00 0.00 N ATOM 154 CA GLU A 13 15.942 10.056 -14.499 1.00 0.00 C ATOM 155 C GLU A 13 15.091 9.308 -15.549 1.00 0.00 C ATOM 156 O GLU A 13 15.417 9.339 -16.738 1.00 0.00 O ATOM 157 CB GLU A 13 17.376 9.504 -14.406 1.00 0.00 C ATOM 158 CG GLU A 13 17.452 8.018 -14.024 1.00 0.00 C ATOM 159 CD GLU A 13 18.920 7.561 -13.912 1.00 0.00 C ATOM 160 OE1 GLU A 13 19.545 7.240 -14.954 1.00 0.00 O ATOM 161 OE2 GLU A 13 19.467 7.526 -12.783 1.00 0.00 O ATOM 0 H GLU A 13 15.655 9.350 -12.548 1.00 0.00 H new ATOM 0 HA GLU A 13 15.984 11.082 -14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 13 17.872 9.647 -15.366 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.931 10.086 -13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.941 7.854 -13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.935 7.418 -14.772 1.00 0.00 H new ATOM 168 N TYR A 14 14.003 8.649 -15.127 1.00 0.00 N ATOM 169 CA TYR A 14 13.156 7.809 -15.988 1.00 0.00 C ATOM 170 C TYR A 14 11.814 8.462 -16.370 1.00 0.00 C ATOM 171 O TYR A 14 11.298 8.186 -17.458 1.00 0.00 O ATOM 172 CB TYR A 14 12.915 6.461 -15.297 1.00 0.00 C ATOM 173 CG TYR A 14 14.159 5.629 -15.045 1.00 0.00 C ATOM 174 CD1 TYR A 14 14.698 4.839 -16.081 1.00 0.00 C ATOM 175 CD2 TYR A 14 14.765 5.630 -13.773 1.00 0.00 C ATOM 176 CE1 TYR A 14 15.841 4.050 -15.845 1.00 0.00 C ATOM 177 CE2 TYR A 14 15.908 4.842 -13.534 1.00 0.00 C ATOM 178 CZ TYR A 14 16.449 4.050 -14.571 1.00 0.00 C ATOM 179 OH TYR A 14 17.554 3.282 -14.352 1.00 0.00 O ATOM 0 H TYR A 14 13.680 8.685 -14.160 1.00 0.00 H new ATOM 0 HA TYR A 14 13.695 7.671 -16.926 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.421 6.644 -14.343 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.225 5.877 -15.906 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.234 4.839 -17.056 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.353 6.236 -12.980 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.252 3.445 -16.639 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.371 4.843 -12.558 1.00 0.00 H new ATOM 0 HH TYR A 14 17.852 3.394 -13.425 1.00 0.00 H new ATOM 189 N CYS A 15 11.251 9.318 -15.504 1.00 0.00 N ATOM 190 CA CYS A 15 9.965 10.007 -15.718 1.00 0.00 C ATOM 191 C CYS A 15 9.963 11.515 -15.361 1.00 0.00 C ATOM 192 O CYS A 15 8.925 12.177 -15.446 1.00 0.00 O ATOM 193 CB CYS A 15 8.842 9.218 -15.024 1.00 0.00 C ATOM 194 SG CYS A 15 8.989 9.287 -13.225 1.00 0.00 S ATOM 0 H CYS A 15 11.686 9.558 -14.613 1.00 0.00 H new ATOM 0 HA CYS A 15 9.782 10.016 -16.793 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.875 9.620 -15.326 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.871 8.179 -15.352 1.00 0.00 H new ATOM 0 HG CYS A 15 10.232 9.119 -12.884 1.00 0.00 H new ATOM 199 N ASN A 16 11.127 12.075 -15.002 1.00 0.00 N ATOM 200 CA ASN A 16 11.353 13.491 -14.670 1.00 0.00 C ATOM 201 C ASN A 16 10.531 14.038 -13.476 1.00 0.00 C ATOM 202 O ASN A 16 10.454 15.257 -13.290 1.00 0.00 O ATOM 203 CB ASN A 16 11.271 14.362 -15.946 1.00 0.00 C ATOM 204 CG ASN A 16 12.264 13.995 -17.044 1.00 0.00 C ATOM 205 OD1 ASN A 16 13.213 13.243 -16.869 1.00 0.00 O ATOM 206 ND2 ASN A 16 12.085 14.542 -18.226 1.00 0.00 N ATOM 0 H ASN A 16 11.982 11.524 -14.931 1.00 0.00 H new ATOM 0 HA ASN A 16 12.370 13.555 -14.284 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.262 14.291 -16.352 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.430 15.404 -15.667 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.734 14.338 -18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.297 15.170 -18.383 1.00 0.00 H new ATOM 213 N LYS A 17 9.942 13.170 -12.636 1.00 0.00 N ATOM 214 CA LYS A 17 9.301 13.566 -11.369 1.00 0.00 C ATOM 215 C LYS A 17 10.308 14.138 -10.370 1.00 0.00 C ATOM 216 O LYS A 17 11.477 13.753 -10.352 1.00 0.00 O ATOM 217 CB LYS A 17 8.563 12.386 -10.723 1.00 0.00 C ATOM 218 CG LYS A 17 7.259 12.040 -11.446 1.00 0.00 C ATOM 219 CD LYS A 17 6.559 10.901 -10.690 1.00 0.00 C ATOM 220 CE LYS A 17 5.445 10.231 -11.498 1.00 0.00 C ATOM 221 NZ LYS A 17 4.314 11.153 -11.788 1.00 0.00 N ATOM 0 H LYS A 17 9.897 12.167 -12.818 1.00 0.00 H new ATOM 0 HA LYS A 17 8.582 14.345 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.215 11.512 -10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.345 12.625 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.611 12.915 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.466 11.740 -12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.299 10.150 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.140 11.293 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.856 9.859 -12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.072 9.367 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.588 10.650 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.902 11.489 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.661 11.966 -12.336 1.00 0.00 H new ATOM 235 N VAL A 18 9.816 15.029 -9.516 1.00 0.00 N ATOM 236 CA VAL A 18 10.602 15.804 -8.538 1.00 0.00 C ATOM 237 C VAL A 18 10.157 15.489 -7.105 1.00 0.00 C ATOM 238 O VAL A 18 8.959 15.398 -6.823 1.00 0.00 O ATOM 239 CB VAL A 18 10.512 17.312 -8.850 1.00 0.00 C ATOM 240 CG1 VAL A 18 11.353 18.142 -7.876 1.00 0.00 C ATOM 241 CG2 VAL A 18 11.023 17.629 -10.264 1.00 0.00 C ATOM 0 H VAL A 18 8.820 15.246 -9.477 1.00 0.00 H new ATOM 0 HA VAL A 18 11.649 15.511 -8.620 1.00 0.00 H new ATOM 0 HB VAL A 18 9.457 17.569 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.264 19.199 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.997 17.980 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.397 17.839 -7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.944 18.701 -10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.065 17.322 -10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.423 17.090 -10.997 1.00 0.00 H new ATOM 251 N PHE A 19 11.127 15.332 -6.201 1.00 0.00 N ATOM 252 CA PHE A 19 10.962 14.875 -4.818 1.00 0.00 C ATOM 253 C PHE A 19 11.762 15.748 -3.833 1.00 0.00 C ATOM 254 O PHE A 19 12.858 16.227 -4.142 1.00 0.00 O ATOM 255 CB PHE A 19 11.380 13.395 -4.720 1.00 0.00 C ATOM 256 CG PHE A 19 10.610 12.468 -5.646 1.00 0.00 C ATOM 257 CD1 PHE A 19 9.372 11.929 -5.243 1.00 0.00 C ATOM 258 CD2 PHE A 19 11.103 12.188 -6.935 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.620 11.141 -6.134 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.351 11.399 -7.823 1.00 0.00 C ATOM 261 CZ PHE A 19 9.101 10.886 -7.431 1.00 0.00 C ATOM 0 H PHE A 19 12.102 15.531 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 19 9.913 14.970 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.443 13.314 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.245 13.058 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.999 12.121 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.061 12.580 -7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.671 10.731 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.734 11.186 -8.810 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.514 10.300 -8.122 1.00 0.00 H new ATOM 271 N LYS A 20 11.218 15.934 -2.622 1.00 0.00 N ATOM 272 CA LYS A 20 11.791 16.801 -1.571 1.00 0.00 C ATOM 273 C LYS A 20 12.987 16.172 -0.840 1.00 0.00 C ATOM 274 O LYS A 20 13.848 16.894 -0.337 1.00 0.00 O ATOM 275 CB LYS A 20 10.658 17.192 -0.603 1.00 0.00 C ATOM 276 CG LYS A 20 11.044 18.343 0.341 1.00 0.00 C ATOM 277 CD LYS A 20 9.836 18.802 1.173 1.00 0.00 C ATOM 278 CE LYS A 20 10.140 20.062 1.996 1.00 0.00 C ATOM 279 NZ LYS A 20 11.108 19.810 3.095 1.00 0.00 N ATOM 0 H LYS A 20 10.351 15.479 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 20 12.205 17.692 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.779 17.481 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.378 16.321 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.846 18.020 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.429 19.181 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.994 18.999 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.532 17.998 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.538 20.834 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.212 20.449 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.715 20.161 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.287 18.789 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.000 20.304 2.892 1.00 0.00 H new ATOM 293 N PHE A 21 13.062 14.838 -0.812 1.00 0.00 N ATOM 294 CA PHE A 21 14.103 14.061 -0.130 1.00 0.00 C ATOM 295 C PHE A 21 14.593 12.881 -0.982 1.00 0.00 C ATOM 296 O PHE A 21 13.834 12.308 -1.772 1.00 0.00 O ATOM 297 CB PHE A 21 13.563 13.537 1.209 1.00 0.00 C ATOM 298 CG PHE A 21 13.113 14.601 2.195 1.00 0.00 C ATOM 299 CD1 PHE A 21 14.067 15.329 2.930 1.00 0.00 C ATOM 300 CD2 PHE A 21 11.741 14.838 2.409 1.00 0.00 C ATOM 301 CE1 PHE A 21 13.653 16.278 3.884 1.00 0.00 C ATOM 302 CE2 PHE A 21 11.326 15.784 3.362 1.00 0.00 C ATOM 303 CZ PHE A 21 12.283 16.499 4.107 1.00 0.00 C ATOM 0 H PHE A 21 12.375 14.248 -1.280 1.00 0.00 H new ATOM 0 HA PHE A 21 14.951 14.724 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.721 12.875 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.338 12.933 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.120 15.159 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.005 14.291 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.388 16.836 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.273 15.962 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.965 17.216 4.849 1.00 0.00 H new ATOM 313 N LYS A 22 15.848 12.462 -0.770 1.00 0.00 N ATOM 314 CA LYS A 22 16.462 11.333 -1.490 1.00 0.00 C ATOM 315 C LYS A 22 15.770 9.999 -1.202 1.00 0.00 C ATOM 316 O LYS A 22 15.627 9.186 -2.110 1.00 0.00 O ATOM 317 CB LYS A 22 17.964 11.274 -1.163 1.00 0.00 C ATOM 318 CG LYS A 22 18.719 10.328 -2.115 1.00 0.00 C ATOM 319 CD LYS A 22 20.245 10.489 -2.051 1.00 0.00 C ATOM 320 CE LYS A 22 20.794 10.280 -0.636 1.00 0.00 C ATOM 321 NZ LYS A 22 22.280 10.312 -0.610 1.00 0.00 N ATOM 0 H LYS A 22 16.471 12.898 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 22 16.333 11.506 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 22 18.391 12.275 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 22 18.099 10.939 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.459 9.297 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.384 10.509 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 22 20.712 9.774 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 22 20.518 11.485 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 22 20.402 11.054 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.444 9.323 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.613 10.167 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 22.654 9.557 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 22.613 11.234 -0.956 1.00 0.00 H new ATOM 335 N HIS A 23 15.278 9.784 0.021 1.00 0.00 N ATOM 336 CA HIS A 23 14.548 8.562 0.384 1.00 0.00 C ATOM 337 C HIS A 23 13.211 8.421 -0.369 1.00 0.00 C ATOM 338 O HIS A 23 12.831 7.310 -0.741 1.00 0.00 O ATOM 339 CB HIS A 23 14.382 8.472 1.911 1.00 0.00 C ATOM 340 CG HIS A 23 13.659 9.625 2.571 1.00 0.00 C ATOM 341 ND1 HIS A 23 14.233 10.584 3.379 1.00 0.00 N ATOM 342 CD2 HIS A 23 12.307 9.855 2.578 1.00 0.00 C ATOM 343 CE1 HIS A 23 13.255 11.372 3.858 1.00 0.00 C ATOM 344 NE2 HIS A 23 12.059 10.968 3.393 1.00 0.00 N ATOM 0 H HIS A 23 15.373 10.450 0.788 1.00 0.00 H new ATOM 0 HA HIS A 23 15.146 7.709 0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 23 13.846 7.552 2.144 1.00 0.00 H new ATOM 0 HB3 HIS A 23 15.372 8.386 2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.563 9.279 2.048 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.408 12.210 4.522 1.00 0.00 H new ATOM 0 HE2 HIS A 23 11.152 11.388 3.594 1.00 0.00 H new ATOM 352 N SER A 24 12.537 9.536 -0.678 1.00 0.00 N ATOM 353 CA SER A 24 11.320 9.545 -1.505 1.00 0.00 C ATOM 354 C SER A 24 11.622 9.169 -2.958 1.00 0.00 C ATOM 355 O SER A 24 10.896 8.368 -3.549 1.00 0.00 O ATOM 356 CB SER A 24 10.637 10.916 -1.451 1.00 0.00 C ATOM 357 OG SER A 24 10.326 11.261 -0.112 1.00 0.00 O ATOM 0 H SER A 24 12.821 10.463 -0.360 1.00 0.00 H new ATOM 0 HA SER A 24 10.644 8.795 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.291 11.672 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.726 10.900 -2.050 1.00 0.00 H new ATOM 0 HG SER A 24 9.892 12.139 -0.093 1.00 0.00 H new ATOM 363 N LEU A 25 12.735 9.664 -3.518 1.00 0.00 N ATOM 364 CA LEU A 25 13.210 9.259 -4.845 1.00 0.00 C ATOM 365 C LEU A 25 13.640 7.780 -4.871 1.00 0.00 C ATOM 366 O LEU A 25 13.255 7.049 -5.780 1.00 0.00 O ATOM 367 CB LEU A 25 14.336 10.210 -5.298 1.00 0.00 C ATOM 368 CG LEU A 25 14.982 9.819 -6.644 1.00 0.00 C ATOM 369 CD1 LEU A 25 13.984 9.782 -7.801 1.00 0.00 C ATOM 370 CD2 LEU A 25 16.078 10.818 -7.006 1.00 0.00 C ATOM 0 H LEU A 25 13.330 10.356 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 25 12.389 9.339 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.934 11.220 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.108 10.235 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 25 15.384 8.815 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.501 9.501 -8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.204 9.052 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.534 10.767 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.529 10.535 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.647 11.816 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.842 10.818 -6.228 1.00 0.00 H new ATOM 382 N GLN A 26 14.377 7.302 -3.865 1.00 0.00 N ATOM 383 CA GLN A 26 14.799 5.897 -3.766 1.00 0.00 C ATOM 384 C GLN A 26 13.609 4.926 -3.693 1.00 0.00 C ATOM 385 O GLN A 26 13.626 3.880 -4.344 1.00 0.00 O ATOM 386 CB GLN A 26 15.710 5.713 -2.541 1.00 0.00 C ATOM 387 CG GLN A 26 17.138 6.243 -2.764 1.00 0.00 C ATOM 388 CD GLN A 26 17.975 5.427 -3.756 1.00 0.00 C ATOM 389 OE1 GLN A 26 17.611 4.354 -4.218 1.00 0.00 O ATOM 390 NE2 GLN A 26 19.147 5.905 -4.117 1.00 0.00 N ATOM 0 H GLN A 26 14.701 7.880 -3.090 1.00 0.00 H new ATOM 0 HA GLN A 26 15.348 5.657 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.268 6.226 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.758 4.654 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.078 7.272 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 26 17.656 6.267 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.470 6.798 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 26 19.732 5.383 -4.770 1.00 0.00 H new ATOM 399 N ALA A 27 12.551 5.284 -2.961 1.00 0.00 N ATOM 400 CA ALA A 27 11.318 4.499 -2.912 1.00 0.00 C ATOM 401 C ALA A 27 10.501 4.587 -4.217 1.00 0.00 C ATOM 402 O ALA A 27 9.892 3.596 -4.624 1.00 0.00 O ATOM 403 CB ALA A 27 10.514 4.958 -1.698 1.00 0.00 C ATOM 0 H ALA A 27 12.526 6.126 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 27 11.570 3.443 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.587 4.387 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.099 4.797 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.281 6.018 -1.796 1.00 0.00 H new ATOM 409 N HIS A 28 10.528 5.729 -4.913 1.00 0.00 N ATOM 410 CA HIS A 28 9.916 5.889 -6.236 1.00 0.00 C ATOM 411 C HIS A 28 10.622 5.043 -7.313 1.00 0.00 C ATOM 412 O HIS A 28 9.958 4.385 -8.112 1.00 0.00 O ATOM 413 CB HIS A 28 9.905 7.378 -6.614 1.00 0.00 C ATOM 414 CG HIS A 28 9.525 7.604 -8.052 1.00 0.00 C ATOM 415 ND1 HIS A 28 8.270 7.447 -8.591 1.00 0.00 N ATOM 416 CD2 HIS A 28 10.378 7.894 -9.081 1.00 0.00 C ATOM 417 CE1 HIS A 28 8.358 7.632 -9.915 1.00 0.00 C ATOM 418 NE2 HIS A 28 9.634 7.907 -10.277 1.00 0.00 N ATOM 0 H HIS A 28 10.980 6.577 -4.570 1.00 0.00 H new ATOM 0 HA HIS A 28 8.891 5.522 -6.185 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.205 7.908 -5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.892 7.803 -6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.438 8.081 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.525 7.570 -10.600 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.983 8.086 -11.219 1.00 0.00 H new ATOM 426 N LEU A 29 11.961 5.004 -7.318 1.00 0.00 N ATOM 427 CA LEU A 29 12.771 4.276 -8.310 1.00 0.00 C ATOM 428 C LEU A 29 12.462 2.767 -8.381 1.00 0.00 C ATOM 429 O LEU A 29 12.701 2.150 -9.422 1.00 0.00 O ATOM 430 CB LEU A 29 14.266 4.531 -8.025 1.00 0.00 C ATOM 431 CG LEU A 29 14.771 5.917 -8.478 1.00 0.00 C ATOM 432 CD1 LEU A 29 16.145 6.201 -7.870 1.00 0.00 C ATOM 433 CD2 LEU A 29 14.912 6.009 -9.997 1.00 0.00 C ATOM 0 H LEU A 29 12.525 5.487 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 29 12.506 4.663 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.443 4.425 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.855 3.762 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 29 14.032 6.644 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.492 7.182 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.072 6.185 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.852 5.439 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.270 7.002 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.624 5.259 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.943 5.832 -10.464 1.00 0.00 H new ATOM 445 N ARG A 30 11.846 2.189 -7.338 1.00 0.00 N ATOM 446 CA ARG A 30 11.374 0.791 -7.308 1.00 0.00 C ATOM 447 C ARG A 30 10.407 0.446 -8.450 1.00 0.00 C ATOM 448 O ARG A 30 10.398 -0.700 -8.903 1.00 0.00 O ATOM 449 CB ARG A 30 10.708 0.502 -5.949 1.00 0.00 C ATOM 450 CG ARG A 30 11.674 0.662 -4.763 1.00 0.00 C ATOM 451 CD ARG A 30 10.944 0.459 -3.430 1.00 0.00 C ATOM 452 NE ARG A 30 11.851 0.690 -2.287 1.00 0.00 N ATOM 453 CZ ARG A 30 11.505 0.959 -1.041 1.00 0.00 C ATOM 454 NH1 ARG A 30 10.259 1.041 -0.667 1.00 0.00 N ATOM 455 NH2 ARG A 30 12.417 1.159 -0.134 1.00 0.00 N ATOM 0 H ARG A 30 11.657 2.691 -6.470 1.00 0.00 H new ATOM 0 HA ARG A 30 12.251 0.159 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.861 1.175 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.311 -0.513 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.486 -0.060 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.125 1.654 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.096 1.141 -3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.543 -0.554 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 30 12.851 0.636 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.512 0.895 -1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.031 1.251 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.405 1.108 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.144 1.366 0.827 1.00 0.00 H new ATOM 469 N ILE A 31 9.627 1.409 -8.962 1.00 0.00 N ATOM 470 CA ILE A 31 8.708 1.174 -10.092 1.00 0.00 C ATOM 471 C ILE A 31 9.443 1.040 -11.435 1.00 0.00 C ATOM 472 O ILE A 31 8.961 0.361 -12.342 1.00 0.00 O ATOM 473 CB ILE A 31 7.586 2.232 -10.164 1.00 0.00 C ATOM 474 CG1 ILE A 31 8.005 3.564 -10.828 1.00 0.00 C ATOM 475 CG2 ILE A 31 6.925 2.422 -8.785 1.00 0.00 C ATOM 476 CD1 ILE A 31 6.853 4.566 -10.949 1.00 0.00 C ATOM 0 H ILE A 31 9.613 2.366 -8.610 1.00 0.00 H new ATOM 0 HA ILE A 31 8.233 0.213 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 31 6.832 1.835 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.810 4.014 -10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.404 3.358 -11.821 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.137 3.172 -8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.496 1.476 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.674 2.752 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.213 5.479 -11.423 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.056 4.133 -11.554 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.468 4.800 -9.956 1.00 0.00 H new ATOM 570 N PRO A 37 10.327 -10.522 -7.820 1.00 0.00 N ATOM 571 CA PRO A 37 10.215 -11.681 -8.716 1.00 0.00 C ATOM 572 C PRO A 37 8.788 -12.202 -8.934 1.00 0.00 C ATOM 573 O PRO A 37 8.441 -12.592 -10.052 1.00 0.00 O ATOM 574 CB PRO A 37 11.096 -12.765 -8.086 1.00 0.00 C ATOM 575 CG PRO A 37 11.188 -12.378 -6.611 1.00 0.00 C ATOM 576 CD PRO A 37 11.136 -10.856 -6.659 1.00 0.00 C ATOM 0 HA PRO A 37 10.532 -11.387 -9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.656 -13.755 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.082 -12.794 -8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.363 -12.793 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.111 -12.737 -6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.697 -10.451 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.137 -10.433 -6.746 1.00 0.00 H new ATOM 584 N TYR A 38 7.962 -12.229 -7.887 1.00 0.00 N ATOM 585 CA TYR A 38 6.641 -12.868 -7.911 1.00 0.00 C ATOM 586 C TYR A 38 5.546 -11.859 -8.278 1.00 0.00 C ATOM 587 O TYR A 38 4.941 -11.227 -7.409 1.00 0.00 O ATOM 588 CB TYR A 38 6.388 -13.597 -6.584 1.00 0.00 C ATOM 589 CG TYR A 38 7.381 -14.706 -6.315 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.305 -15.914 -7.034 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.402 -14.512 -5.372 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.252 -16.931 -6.801 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.350 -15.523 -5.130 1.00 0.00 C ATOM 594 CZ TYR A 38 9.278 -16.737 -5.846 1.00 0.00 C ATOM 595 OH TYR A 38 10.196 -17.714 -5.610 1.00 0.00 O ATOM 0 H TYR A 38 8.192 -11.804 -6.989 1.00 0.00 H new ATOM 0 HA TYR A 38 6.615 -13.624 -8.696 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.428 -12.876 -5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.381 -14.014 -6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.522 -16.061 -7.763 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.460 -13.581 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.195 -17.859 -7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.130 -15.371 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 38 10.828 -17.411 -4.925 1.00 0.00 H new ATOM 605 N LYS A 39 5.314 -11.689 -9.581 1.00 0.00 N ATOM 606 CA LYS A 39 4.365 -10.719 -10.158 1.00 0.00 C ATOM 607 C LYS A 39 2.979 -11.335 -10.379 1.00 0.00 C ATOM 608 O LYS A 39 2.867 -12.488 -10.807 1.00 0.00 O ATOM 609 CB LYS A 39 4.954 -10.124 -11.449 1.00 0.00 C ATOM 610 CG LYS A 39 6.158 -9.223 -11.134 1.00 0.00 C ATOM 611 CD LYS A 39 6.922 -8.771 -12.382 1.00 0.00 C ATOM 612 CE LYS A 39 8.129 -7.939 -11.927 1.00 0.00 C ATOM 613 NZ LYS A 39 8.987 -7.496 -13.055 1.00 0.00 N ATOM 0 H LYS A 39 5.795 -12.239 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 39 4.218 -9.908 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.261 -10.928 -12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.190 -9.548 -11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.812 -8.344 -10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.840 -9.758 -10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.251 -9.634 -12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.275 -8.180 -13.031 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.775 -7.064 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.728 -8.528 -11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.785 -6.939 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.350 -8.328 -13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.428 -6.910 -13.707 1.00 0.00 H new ATOM 627 N CYS A 40 1.932 -10.557 -10.111 1.00 0.00 N ATOM 628 CA CYS A 40 0.539 -10.943 -10.327 1.00 0.00 C ATOM 629 C CYS A 40 0.219 -11.017 -11.842 1.00 0.00 C ATOM 630 O CYS A 40 0.587 -10.103 -12.591 1.00 0.00 O ATOM 631 CB CYS A 40 -0.348 -9.942 -9.575 1.00 0.00 C ATOM 632 SG CYS A 40 -2.107 -10.383 -9.670 1.00 0.00 S ATOM 0 H CYS A 40 2.032 -9.617 -9.728 1.00 0.00 H new ATOM 0 HA CYS A 40 0.345 -11.942 -9.937 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.041 -9.900 -8.530 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.202 -8.945 -9.991 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.590 -10.500 -8.469 1.00 0.00 H new ATOM 637 N PRO A 41 -0.464 -12.076 -12.322 1.00 0.00 N ATOM 638 CA PRO A 41 -0.951 -12.156 -13.696 1.00 0.00 C ATOM 639 C PRO A 41 -2.217 -11.307 -13.922 1.00 0.00 C ATOM 640 O PRO A 41 -2.584 -11.067 -15.075 1.00 0.00 O ATOM 641 CB PRO A 41 -1.209 -13.649 -13.926 1.00 0.00 C ATOM 642 CG PRO A 41 -1.628 -14.153 -12.545 1.00 0.00 C ATOM 643 CD PRO A 41 -0.821 -13.277 -11.586 1.00 0.00 C ATOM 0 HA PRO A 41 -0.229 -11.751 -14.405 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.991 -13.812 -14.668 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.316 -14.160 -14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.700 -14.041 -12.385 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.395 -15.210 -12.416 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.407 -13.029 -10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.071 -13.800 -11.241 1.00 0.00 H new ATOM 651 N GLN A 42 -2.883 -10.844 -12.852 1.00 0.00 N ATOM 652 CA GLN A 42 -4.162 -10.124 -12.926 1.00 0.00 C ATOM 653 C GLN A 42 -4.028 -8.599 -12.741 1.00 0.00 C ATOM 654 O GLN A 42 -4.832 -7.867 -13.325 1.00 0.00 O ATOM 655 CB GLN A 42 -5.163 -10.700 -11.908 1.00 0.00 C ATOM 656 CG GLN A 42 -5.405 -12.217 -11.988 1.00 0.00 C ATOM 657 CD GLN A 42 -5.835 -12.692 -13.375 1.00 0.00 C ATOM 658 OE1 GLN A 42 -5.093 -13.341 -14.101 1.00 0.00 O ATOM 659 NE2 GLN A 42 -7.046 -12.394 -13.801 1.00 0.00 N ATOM 0 H GLN A 42 -2.542 -10.962 -11.898 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.536 -10.276 -13.939 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.810 -10.460 -10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.118 -10.192 -12.040 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.492 -12.738 -11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.171 -12.494 -11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.677 -11.854 -13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.353 -12.703 -14.723 1.00 0.00 H new ATOM 668 N CYS A 43 -3.052 -8.105 -11.960 1.00 0.00 N ATOM 669 CA CYS A 43 -2.861 -6.672 -11.708 1.00 0.00 C ATOM 670 C CYS A 43 -1.371 -6.265 -11.619 1.00 0.00 C ATOM 671 O CYS A 43 -0.468 -7.075 -11.840 1.00 0.00 O ATOM 672 CB CYS A 43 -3.687 -6.292 -10.465 1.00 0.00 C ATOM 673 SG CYS A 43 -2.996 -7.007 -8.963 1.00 0.00 S ATOM 0 H CYS A 43 -2.370 -8.696 -11.484 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.226 -6.098 -12.560 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.722 -5.207 -10.369 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.714 -6.634 -10.592 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.661 -8.243 -9.185 1.00 0.00 H new ATOM 678 N SER A 44 -1.109 -4.990 -11.314 1.00 0.00 N ATOM 679 CA SER A 44 0.242 -4.402 -11.209 1.00 0.00 C ATOM 680 C SER A 44 1.043 -4.856 -9.971 1.00 0.00 C ATOM 681 O SER A 44 2.181 -4.424 -9.776 1.00 0.00 O ATOM 682 CB SER A 44 0.142 -2.868 -11.219 1.00 0.00 C ATOM 683 OG SER A 44 -0.617 -2.400 -12.328 1.00 0.00 O ATOM 0 H SER A 44 -1.849 -4.314 -11.127 1.00 0.00 H new ATOM 0 HA SER A 44 0.793 -4.767 -12.076 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.319 -2.527 -10.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.143 -2.438 -11.255 1.00 0.00 H new ATOM 0 HG SER A 44 -0.663 -1.421 -12.304 1.00 0.00 H new ATOM 689 N TYR A 45 0.462 -5.705 -9.117 1.00 0.00 N ATOM 690 CA TYR A 45 1.053 -6.218 -7.884 1.00 0.00 C ATOM 691 C TYR A 45 2.307 -7.082 -8.113 1.00 0.00 C ATOM 692 O TYR A 45 2.379 -7.875 -9.056 1.00 0.00 O ATOM 693 CB TYR A 45 -0.028 -7.015 -7.149 1.00 0.00 C ATOM 694 CG TYR A 45 0.419 -7.597 -5.818 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.006 -8.877 -5.753 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.259 -6.837 -4.643 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.415 -9.405 -4.514 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.667 -7.360 -3.403 1.00 0.00 C ATOM 699 CZ TYR A 45 1.240 -8.647 -3.334 1.00 0.00 C ATOM 700 OH TYR A 45 1.603 -9.152 -2.125 1.00 0.00 O ATOM 0 H TYR A 45 -0.478 -6.068 -9.277 1.00 0.00 H new ATOM 0 HA TYR A 45 1.397 -5.371 -7.289 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.888 -6.367 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.364 -7.828 -7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.142 -9.454 -6.656 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.178 -5.851 -4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.862 -10.387 -4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.542 -6.776 -2.503 1.00 0.00 H new ATOM 0 HH TYR A 45 1.412 -8.494 -1.425 1.00 0.00 H new ATOM 710 N ALA A 46 3.274 -6.965 -7.199 1.00 0.00 N ATOM 711 CA ALA A 46 4.449 -7.833 -7.119 1.00 0.00 C ATOM 712 C ALA A 46 4.899 -8.117 -5.669 1.00 0.00 C ATOM 713 O ALA A 46 4.675 -7.312 -4.762 1.00 0.00 O ATOM 714 CB ALA A 46 5.577 -7.217 -7.956 1.00 0.00 C ATOM 0 H ALA A 46 3.260 -6.245 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 46 4.180 -8.808 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.459 -7.855 -7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.254 -7.128 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.821 -6.229 -7.566 1.00 0.00 H new ATOM 720 N SER A 47 5.580 -9.251 -5.474 1.00 0.00 N ATOM 721 CA SER A 47 6.045 -9.782 -4.185 1.00 0.00 C ATOM 722 C SER A 47 7.470 -10.353 -4.271 1.00 0.00 C ATOM 723 O SER A 47 7.935 -10.759 -5.339 1.00 0.00 O ATOM 724 CB SER A 47 5.071 -10.876 -3.733 1.00 0.00 C ATOM 725 OG SER A 47 5.457 -11.448 -2.498 1.00 0.00 O ATOM 0 H SER A 47 5.836 -9.857 -6.253 1.00 0.00 H new ATOM 0 HA SER A 47 6.073 -8.965 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.070 -10.455 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.021 -11.655 -4.494 1.00 0.00 H new ATOM 0 HG SER A 47 5.303 -12.415 -2.523 1.00 0.00 H new ATOM 731 N ALA A 48 8.154 -10.426 -3.126 1.00 0.00 N ATOM 732 CA ALA A 48 9.427 -11.134 -2.956 1.00 0.00 C ATOM 733 C ALA A 48 9.259 -12.599 -2.487 1.00 0.00 C ATOM 734 O ALA A 48 10.249 -13.321 -2.360 1.00 0.00 O ATOM 735 CB ALA A 48 10.310 -10.315 -2.008 1.00 0.00 C ATOM 0 H ALA A 48 7.829 -9.982 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 48 9.911 -11.219 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.263 -10.824 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.486 -9.328 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.810 -10.209 -1.045 1.00 0.00 H new ATOM 741 N ILE A 49 8.016 -13.046 -2.241 1.00 0.00 N ATOM 742 CA ILE A 49 7.675 -14.384 -1.726 1.00 0.00 C ATOM 743 C ILE A 49 6.477 -14.969 -2.491 1.00 0.00 C ATOM 744 O ILE A 49 5.438 -14.314 -2.622 1.00 0.00 O ATOM 745 CB ILE A 49 7.368 -14.343 -0.205 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.294 -13.382 0.577 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.405 -15.773 0.365 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.055 -13.351 2.092 1.00 0.00 C ATOM 0 H ILE A 49 7.192 -12.466 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 49 8.541 -15.027 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 49 6.365 -13.935 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.330 -13.667 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.165 -12.374 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.189 -15.745 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.658 -16.385 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.394 -16.203 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.749 -12.650 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.032 -13.034 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.214 -14.347 2.506 1.00 0.00 H new ATOM 760 N LYS A 50 6.581 -16.230 -2.930 1.00 0.00 N ATOM 761 CA LYS A 50 5.516 -16.943 -3.665 1.00 0.00 C ATOM 762 C LYS A 50 4.269 -17.193 -2.805 1.00 0.00 C ATOM 763 O LYS A 50 3.144 -17.047 -3.281 1.00 0.00 O ATOM 764 CB LYS A 50 6.092 -18.256 -4.224 1.00 0.00 C ATOM 765 CG LYS A 50 5.243 -18.810 -5.377 1.00 0.00 C ATOM 766 CD LYS A 50 5.848 -20.105 -5.937 1.00 0.00 C ATOM 767 CE LYS A 50 4.991 -20.630 -7.095 1.00 0.00 C ATOM 768 NZ LYS A 50 5.543 -21.889 -7.660 1.00 0.00 N ATOM 0 H LYS A 50 7.417 -16.796 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 50 5.181 -16.311 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.111 -18.086 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.148 -18.997 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.229 -19.001 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.172 -18.066 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.865 -19.921 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.910 -20.857 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.973 -20.803 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.934 -19.874 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.937 -22.214 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.505 -21.717 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.574 -22.618 -6.919 1.00 0.00 H new ATOM 782 N ALA A 51 4.458 -17.489 -1.517 1.00 0.00 N ATOM 783 CA ALA A 51 3.370 -17.626 -0.544 1.00 0.00 C ATOM 784 C ALA A 51 2.617 -16.298 -0.324 1.00 0.00 C ATOM 785 O ALA A 51 1.389 -16.283 -0.282 1.00 0.00 O ATOM 786 CB ALA A 51 3.956 -18.171 0.764 1.00 0.00 C ATOM 0 H ALA A 51 5.383 -17.642 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 51 2.628 -18.325 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.161 -18.280 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.416 -19.142 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.709 -17.479 1.142 1.00 0.00 H new ATOM 792 N ASN A 52 3.329 -15.166 -0.270 1.00 0.00 N ATOM 793 CA ASN A 52 2.708 -13.841 -0.181 1.00 0.00 C ATOM 794 C ASN A 52 1.971 -13.463 -1.484 1.00 0.00 C ATOM 795 O ASN A 52 0.913 -12.835 -1.424 1.00 0.00 O ATOM 796 CB ASN A 52 3.778 -12.822 0.234 1.00 0.00 C ATOM 797 CG ASN A 52 3.218 -11.420 0.416 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.340 -11.176 1.232 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.710 -10.462 -0.335 1.00 0.00 N ATOM 0 H ASN A 52 4.349 -15.143 -0.287 1.00 0.00 H new ATOM 0 HA ASN A 52 1.932 -13.847 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.241 -13.147 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.564 -12.799 -0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.360 -9.509 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.442 -10.671 -1.014 1.00 0.00 H new ATOM 806 N LEU A 53 2.449 -13.912 -2.656 1.00 0.00 N ATOM 807 CA LEU A 53 1.683 -13.796 -3.901 1.00 0.00 C ATOM 808 C LEU A 53 0.401 -14.650 -3.862 1.00 0.00 C ATOM 809 O LEU A 53 -0.639 -14.186 -4.315 1.00 0.00 O ATOM 810 CB LEU A 53 2.573 -14.126 -5.117 1.00 0.00 C ATOM 811 CG LEU A 53 1.832 -14.001 -6.466 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.373 -12.570 -6.741 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.724 -14.441 -7.622 1.00 0.00 C ATOM 0 H LEU A 53 3.360 -14.357 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 53 1.357 -12.761 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.435 -13.458 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.957 -15.141 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 53 0.959 -14.649 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.857 -12.531 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.695 -12.247 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.239 -11.909 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.178 -14.343 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.615 -13.814 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.017 -15.481 -7.480 1.00 0.00 H new ATOM 825 N ASN A 54 0.414 -15.847 -3.266 1.00 0.00 N ATOM 826 CA ASN A 54 -0.802 -16.653 -3.081 1.00 0.00 C ATOM 827 C ASN A 54 -1.829 -15.970 -2.149 1.00 0.00 C ATOM 828 O ASN A 54 -3.026 -15.964 -2.446 1.00 0.00 O ATOM 829 CB ASN A 54 -0.403 -18.060 -2.605 1.00 0.00 C ATOM 830 CG ASN A 54 -1.609 -18.978 -2.486 1.00 0.00 C ATOM 831 OD1 ASN A 54 -2.149 -19.462 -3.469 1.00 0.00 O ATOM 832 ND2 ASN A 54 -2.083 -19.233 -1.287 1.00 0.00 N ATOM 0 H ASN A 54 1.260 -16.284 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.315 -16.744 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.314 -18.491 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.097 -17.989 -1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.900 -19.834 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.634 -18.830 -0.465 1.00 0.00 H new ATOM 839 N VAL A 55 -1.365 -15.318 -1.074 1.00 0.00 N ATOM 840 CA VAL A 55 -2.193 -14.488 -0.165 1.00 0.00 C ATOM 841 C VAL A 55 -2.780 -13.257 -0.875 1.00 0.00 C ATOM 842 O VAL A 55 -3.854 -12.781 -0.504 1.00 0.00 O ATOM 843 CB VAL A 55 -1.378 -14.081 1.082 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.103 -13.105 2.019 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.050 -15.326 1.913 1.00 0.00 C ATOM 0 H VAL A 55 -0.383 -15.349 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.040 -15.095 0.156 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.490 -13.584 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.461 -12.871 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.338 -12.188 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.026 -13.562 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.475 -15.035 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.976 -15.808 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.466 -16.022 1.311 1.00 0.00 H new ATOM 855 N HIS A 56 -2.130 -12.778 -1.936 1.00 0.00 N ATOM 856 CA HIS A 56 -2.676 -11.756 -2.834 1.00 0.00 C ATOM 857 C HIS A 56 -3.661 -12.323 -3.878 1.00 0.00 C ATOM 858 O HIS A 56 -4.742 -11.767 -4.069 1.00 0.00 O ATOM 859 CB HIS A 56 -1.522 -10.990 -3.495 1.00 0.00 C ATOM 860 CG HIS A 56 -2.020 -10.048 -4.556 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.722 -8.891 -4.333 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.023 -10.276 -5.905 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.158 -8.430 -5.511 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.756 -9.241 -6.521 1.00 0.00 N ATOM 0 H HIS A 56 -1.196 -13.092 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.268 -11.067 -2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.975 -10.429 -2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.820 -11.698 -3.936 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.884 -8.456 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.547 -11.104 -6.410 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.749 -7.535 -5.640 1.00 0.00 H new ATOM 872 N LEU A 57 -3.337 -13.437 -4.544 1.00 0.00 N ATOM 873 CA LEU A 57 -4.150 -14.021 -5.624 1.00 0.00 C ATOM 874 C LEU A 57 -5.560 -14.407 -5.161 1.00 0.00 C ATOM 875 O LEU A 57 -6.527 -14.197 -5.893 1.00 0.00 O ATOM 876 CB LEU A 57 -3.435 -15.257 -6.187 1.00 0.00 C ATOM 877 CG LEU A 57 -2.258 -14.953 -7.127 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.431 -16.222 -7.324 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.745 -14.484 -8.498 1.00 0.00 C ATOM 0 H LEU A 57 -2.489 -13.969 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.264 -13.259 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.070 -15.858 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.162 -15.866 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.662 -14.161 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.595 -16.011 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.051 -16.562 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.057 -17.000 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.887 -14.278 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.358 -15.263 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.338 -13.577 -8.383 1.00 0.00 H new ATOM 891 N ARG A 58 -5.700 -14.892 -3.921 1.00 0.00 N ATOM 892 CA ARG A 58 -7.008 -15.200 -3.310 1.00 0.00 C ATOM 893 C ARG A 58 -7.945 -13.986 -3.188 1.00 0.00 C ATOM 894 O ARG A 58 -9.160 -14.165 -3.137 1.00 0.00 O ATOM 895 CB ARG A 58 -6.817 -15.932 -1.974 1.00 0.00 C ATOM 896 CG ARG A 58 -6.124 -15.085 -0.899 1.00 0.00 C ATOM 897 CD ARG A 58 -5.921 -15.875 0.399 1.00 0.00 C ATOM 898 NE ARG A 58 -7.195 -16.161 1.091 1.00 0.00 N ATOM 899 CZ ARG A 58 -7.869 -15.358 1.897 1.00 0.00 C ATOM 900 NH1 ARG A 58 -7.464 -14.151 2.177 1.00 0.00 N ATOM 901 NH2 ARG A 58 -8.982 -15.757 2.441 1.00 0.00 N ATOM 0 H ARG A 58 -4.908 -15.084 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.524 -15.870 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.791 -16.249 -1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.231 -16.835 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.159 -14.742 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.721 -14.196 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.414 -16.814 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.268 -15.312 1.065 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.601 -17.083 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.599 -13.796 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.012 -13.562 2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.338 -16.693 2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.498 -15.134 3.062 1.00 0.00 H new ATOM 915 N LYS A 59 -7.415 -12.755 -3.215 1.00 0.00 N ATOM 916 CA LYS A 59 -8.210 -11.510 -3.188 1.00 0.00 C ATOM 917 C LYS A 59 -8.928 -11.238 -4.515 1.00 0.00 C ATOM 918 O LYS A 59 -10.030 -10.692 -4.504 1.00 0.00 O ATOM 919 CB LYS A 59 -7.338 -10.303 -2.787 1.00 0.00 C ATOM 920 CG LYS A 59 -6.565 -10.532 -1.478 1.00 0.00 C ATOM 921 CD LYS A 59 -5.857 -9.262 -0.997 1.00 0.00 C ATOM 922 CE LYS A 59 -5.087 -9.564 0.296 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.408 -8.355 0.831 1.00 0.00 N ATOM 0 H LYS A 59 -6.409 -12.589 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.981 -11.653 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.630 -10.090 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.972 -9.423 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.254 -10.877 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.829 -11.323 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.172 -8.901 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.586 -8.470 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.775 -9.956 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.347 -10.341 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.899 -8.600 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.733 -7.996 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.116 -7.622 1.037 1.00 0.00 H new ATOM 937 N HIS A 60 -8.380 -11.708 -5.641 1.00 0.00 N ATOM 938 CA HIS A 60 -9.033 -11.654 -6.962 1.00 0.00 C ATOM 939 C HIS A 60 -10.265 -12.582 -7.080 1.00 0.00 C ATOM 940 O HIS A 60 -11.039 -12.460 -8.032 1.00 0.00 O ATOM 941 CB HIS A 60 -7.997 -11.933 -8.067 1.00 0.00 C ATOM 942 CG HIS A 60 -6.988 -10.824 -8.246 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.272 -9.559 -8.707 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.636 -10.883 -8.032 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.130 -8.860 -8.766 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.083 -9.624 -8.373 1.00 0.00 N ATOM 0 H HIS A 60 -7.458 -12.143 -5.665 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.427 -10.645 -7.088 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.470 -12.858 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.519 -12.093 -9.010 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.088 -11.739 -7.667 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.055 -7.830 -9.083 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.101 -9.350 -8.331 1.00 0.00 H new ATOM 1012 N PHE A 65 -17.076 -6.664 2.447 1.00 0.00 N ATOM 1013 CA PHE A 65 -18.045 -6.307 3.483 1.00 0.00 C ATOM 1014 C PHE A 65 -18.029 -4.782 3.670 1.00 0.00 C ATOM 1015 O PHE A 65 -16.953 -4.179 3.714 1.00 0.00 O ATOM 1016 CB PHE A 65 -17.704 -7.052 4.785 1.00 0.00 C ATOM 1017 CG PHE A 65 -17.665 -8.565 4.651 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -16.482 -9.205 4.238 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -18.815 -9.331 4.919 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -16.440 -10.604 4.103 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -18.776 -10.731 4.780 1.00 0.00 C ATOM 1022 CZ PHE A 65 -17.587 -11.368 4.377 1.00 0.00 C ATOM 0 HA PHE A 65 -19.052 -6.604 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -16.735 -6.706 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -18.439 -6.786 5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -15.601 -8.618 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -19.727 -8.845 5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -15.528 -11.090 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -19.660 -11.318 4.983 1.00 0.00 H new ATOM 0 HZ PHE A 65 -17.556 -12.443 4.279 1.00 0.00 H new ATOM 1032 N ALA A 66 -19.208 -4.158 3.757 1.00 0.00 N ATOM 1033 CA ALA A 66 -19.377 -2.700 3.740 1.00 0.00 C ATOM 1034 C ALA A 66 -19.931 -2.145 5.064 1.00 0.00 C ATOM 1035 O ALA A 66 -20.827 -2.736 5.674 1.00 0.00 O ATOM 1036 CB ALA A 66 -20.271 -2.324 2.553 1.00 0.00 C ATOM 0 H ALA A 66 -20.090 -4.662 3.843 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.395 -2.241 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.406 -1.243 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.802 -2.653 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -21.242 -2.808 2.661 1.00 0.00 H new ATOM 1042 N CYS A 67 -19.415 -0.985 5.478 1.00 0.00 N ATOM 1043 CA CYS A 67 -19.795 -0.286 6.704 1.00 0.00 C ATOM 1044 C CYS A 67 -21.254 0.215 6.675 1.00 0.00 C ATOM 1045 O CYS A 67 -21.790 0.610 5.634 1.00 0.00 O ATOM 1046 CB CYS A 67 -18.762 0.826 6.916 1.00 0.00 C ATOM 1047 SG CYS A 67 -18.952 1.637 8.534 1.00 0.00 S ATOM 0 H CYS A 67 -18.696 -0.491 4.949 1.00 0.00 H new ATOM 0 HA CYS A 67 -19.781 -0.964 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -17.758 0.408 6.836 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -18.862 1.569 6.125 1.00 0.00 H new ATOM 0 HG CYS A 67 -17.782 1.803 9.076 1.00 0.00 H new ATOM 1052 N ASP A 68 -21.896 0.194 7.843 1.00 0.00 N ATOM 1053 CA ASP A 68 -23.257 0.703 8.061 1.00 0.00 C ATOM 1054 C ASP A 68 -23.276 2.204 8.425 1.00 0.00 C ATOM 1055 O ASP A 68 -24.337 2.832 8.437 1.00 0.00 O ATOM 1056 CB ASP A 68 -23.933 -0.159 9.140 1.00 0.00 C ATOM 1057 CG ASP A 68 -25.446 0.103 9.250 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -26.172 -0.112 8.248 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -25.928 0.472 10.347 1.00 0.00 O ATOM 0 H ASP A 68 -21.475 -0.188 8.690 1.00 0.00 H new ATOM 0 HA ASP A 68 -23.817 0.627 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -23.767 -1.212 8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -23.463 0.039 10.104 1.00 0.00 H new ATOM 1064 N TYR A 69 -22.103 2.785 8.707 1.00 0.00 N ATOM 1065 CA TYR A 69 -21.937 4.140 9.249 1.00 0.00 C ATOM 1066 C TYR A 69 -21.164 5.092 8.311 1.00 0.00 C ATOM 1067 O TYR A 69 -21.314 6.312 8.427 1.00 0.00 O ATOM 1068 CB TYR A 69 -21.225 4.035 10.603 1.00 0.00 C ATOM 1069 CG TYR A 69 -21.901 3.150 11.633 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -22.889 3.685 12.482 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -21.536 1.793 11.744 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -23.512 2.864 13.440 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -22.164 0.969 12.696 1.00 0.00 C ATOM 1074 CZ TYR A 69 -23.154 1.503 13.549 1.00 0.00 C ATOM 1075 OH TYR A 69 -23.754 0.717 14.487 1.00 0.00 O ATOM 0 H TYR A 69 -21.213 2.309 8.559 1.00 0.00 H new ATOM 0 HA TYR A 69 -22.930 4.576 9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -20.216 3.660 10.434 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -21.127 5.037 11.020 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -23.168 4.725 12.398 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -20.773 1.385 11.097 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -24.266 3.276 14.094 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -21.889 -0.072 12.774 1.00 0.00 H new ATOM 0 HH TYR A 69 -23.395 -0.193 14.429 1.00 0.00 H new ATOM 1085 N CYS A 70 -20.353 4.557 7.386 1.00 0.00 N ATOM 1086 CA CYS A 70 -19.613 5.302 6.356 1.00 0.00 C ATOM 1087 C CYS A 70 -19.481 4.501 5.035 1.00 0.00 C ATOM 1088 O CYS A 70 -20.112 3.457 4.853 1.00 0.00 O ATOM 1089 CB CYS A 70 -18.258 5.758 6.927 1.00 0.00 C ATOM 1090 SG CYS A 70 -17.120 4.366 7.158 1.00 0.00 S ATOM 0 H CYS A 70 -20.188 3.552 7.333 1.00 0.00 H new ATOM 0 HA CYS A 70 -20.180 6.193 6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -17.807 6.488 6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.416 6.260 7.882 1.00 0.00 H new ATOM 0 HG CYS A 70 -17.770 3.349 7.641 1.00 0.00 H new ATOM 1095 N SER A 71 -18.668 5.000 4.098 1.00 0.00 N ATOM 1096 CA SER A 71 -18.431 4.403 2.770 1.00 0.00 C ATOM 1097 C SER A 71 -17.366 3.285 2.750 1.00 0.00 C ATOM 1098 O SER A 71 -17.047 2.759 1.680 1.00 0.00 O ATOM 1099 CB SER A 71 -18.055 5.499 1.760 1.00 0.00 C ATOM 1100 OG SER A 71 -19.044 6.521 1.725 1.00 0.00 O ATOM 0 H SER A 71 -18.137 5.859 4.243 1.00 0.00 H new ATOM 0 HA SER A 71 -19.370 3.925 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.091 5.930 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.944 5.062 0.768 1.00 0.00 H new ATOM 0 HG SER A 71 -18.782 7.208 1.077 1.00 0.00 H new ATOM 1106 N PHE A 72 -16.784 2.927 3.903 1.00 0.00 N ATOM 1107 CA PHE A 72 -15.682 1.959 4.018 1.00 0.00 C ATOM 1108 C PHE A 72 -16.053 0.528 3.576 1.00 0.00 C ATOM 1109 O PHE A 72 -17.158 0.043 3.839 1.00 0.00 O ATOM 1110 CB PHE A 72 -15.186 1.966 5.470 1.00 0.00 C ATOM 1111 CG PHE A 72 -14.066 0.996 5.796 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -12.727 1.351 5.547 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -14.361 -0.249 6.386 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -11.687 0.469 5.896 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -13.322 -1.126 6.740 1.00 0.00 C ATOM 1116 CZ PHE A 72 -11.984 -0.766 6.499 1.00 0.00 C ATOM 0 H PHE A 72 -17.072 3.311 4.803 1.00 0.00 H new ATOM 0 HA PHE A 72 -14.895 2.272 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.849 2.974 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.031 1.747 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -12.497 2.301 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.388 -0.530 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.660 0.741 5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -13.551 -2.077 7.197 1.00 0.00 H new ATOM 0 HZ PHE A 72 -11.185 -1.438 6.777 1.00 0.00 H new ATOM 1126 N THR A 73 -15.085 -0.169 2.970 1.00 0.00 N ATOM 1127 CA THR A 73 -15.135 -1.607 2.644 1.00 0.00 C ATOM 1128 C THR A 73 -13.833 -2.321 3.010 1.00 0.00 C ATOM 1129 O THR A 73 -12.743 -1.765 2.858 1.00 0.00 O ATOM 1130 CB THR A 73 -15.422 -1.881 1.154 1.00 0.00 C ATOM 1131 OG1 THR A 73 -14.604 -1.101 0.300 1.00 0.00 O ATOM 1132 CG2 THR A 73 -16.873 -1.591 0.779 1.00 0.00 C ATOM 0 H THR A 73 -14.209 0.266 2.680 1.00 0.00 H new ATOM 0 HA THR A 73 -15.960 -1.996 3.241 1.00 0.00 H new ATOM 0 HB THR A 73 -15.206 -2.941 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.817 -1.307 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.024 -1.800 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.535 -2.223 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.098 -0.543 0.978 1.00 0.00 H new ATOM 1140 N CYS A 74 -13.939 -3.584 3.429 1.00 0.00 N ATOM 1141 CA CYS A 74 -12.808 -4.493 3.653 1.00 0.00 C ATOM 1142 C CYS A 74 -13.174 -5.946 3.292 1.00 0.00 C ATOM 1143 O CYS A 74 -14.333 -6.249 3.007 1.00 0.00 O ATOM 1144 CB CYS A 74 -12.328 -4.349 5.104 1.00 0.00 C ATOM 1145 SG CYS A 74 -13.640 -4.841 6.252 1.00 0.00 S ATOM 0 H CYS A 74 -14.841 -4.017 3.628 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.985 -4.221 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.444 -4.966 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.035 -3.317 5.297 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.552 -6.116 6.490 1.00 0.00 H new ATOM 1151 N LEU A 75 -12.194 -6.855 3.291 1.00 0.00 N ATOM 1152 CA LEU A 75 -12.350 -8.235 2.801 1.00 0.00 C ATOM 1153 C LEU A 75 -12.691 -9.274 3.896 1.00 0.00 C ATOM 1154 O LEU A 75 -12.598 -10.480 3.658 1.00 0.00 O ATOM 1155 CB LEU A 75 -11.113 -8.604 1.949 1.00 0.00 C ATOM 1156 CG LEU A 75 -11.458 -9.370 0.657 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -12.128 -8.459 -0.380 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -10.180 -9.921 0.022 1.00 0.00 C ATOM 0 H LEU A 75 -11.255 -6.653 3.635 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.237 -8.270 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.577 -7.691 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.436 -9.210 2.551 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.142 -10.172 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.356 -9.035 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.050 -8.053 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.454 -7.641 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.431 -10.461 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.508 -9.097 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.689 -10.598 0.721 1.00 0.00 H new ATOM 1170 N SER A 76 -13.077 -8.824 5.098 1.00 0.00 N ATOM 1171 CA SER A 76 -13.512 -9.677 6.217 1.00 0.00 C ATOM 1172 C SER A 76 -14.535 -8.973 7.115 1.00 0.00 C ATOM 1173 O SER A 76 -14.331 -7.826 7.519 1.00 0.00 O ATOM 1174 CB SER A 76 -12.297 -10.095 7.055 1.00 0.00 C ATOM 1175 OG SER A 76 -12.706 -10.753 8.246 1.00 0.00 O ATOM 0 H SER A 76 -13.096 -7.830 5.327 1.00 0.00 H new ATOM 0 HA SER A 76 -13.994 -10.556 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.657 -10.756 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.703 -9.216 7.306 1.00 0.00 H new ATOM 0 HG SER A 76 -11.916 -11.012 8.764 1.00 0.00 H new ATOM 1181 N LYS A 77 -15.598 -9.684 7.515 1.00 0.00 N ATOM 1182 CA LYS A 77 -16.571 -9.205 8.518 1.00 0.00 C ATOM 1183 C LYS A 77 -15.945 -8.977 9.903 1.00 0.00 C ATOM 1184 O LYS A 77 -16.389 -8.095 10.637 1.00 0.00 O ATOM 1185 CB LYS A 77 -17.786 -10.151 8.579 1.00 0.00 C ATOM 1186 CG LYS A 77 -17.454 -11.590 9.022 1.00 0.00 C ATOM 1187 CD LYS A 77 -18.698 -12.483 9.150 1.00 0.00 C ATOM 1188 CE LYS A 77 -19.399 -12.714 7.805 1.00 0.00 C ATOM 1189 NZ LYS A 77 -20.554 -13.638 7.943 1.00 0.00 N ATOM 0 H LYS A 77 -15.812 -10.613 7.153 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.916 -8.224 8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.522 -9.733 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.253 -10.186 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.766 -12.036 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.936 -11.558 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.409 -13.444 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.399 -12.025 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.741 -11.760 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.687 -13.124 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.004 -13.772 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.223 -14.556 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.244 -13.234 8.608 1.00 0.00 H new ATOM 1203 N GLY A 78 -14.876 -9.708 10.236 1.00 0.00 N ATOM 1204 CA GLY A 78 -14.091 -9.499 11.457 1.00 0.00 C ATOM 1205 C GLY A 78 -13.310 -8.183 11.415 1.00 0.00 C ATOM 1206 O GLY A 78 -13.364 -7.397 12.363 1.00 0.00 O ATOM 0 H GLY A 78 -14.527 -10.472 9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.756 -9.499 12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.397 -10.329 11.589 1.00 0.00 H new ATOM 1210 N HIS A 79 -12.669 -7.880 10.280 1.00 0.00 N ATOM 1211 CA HIS A 79 -12.011 -6.586 10.065 1.00 0.00 C ATOM 1212 C HIS A 79 -13.029 -5.432 10.064 1.00 0.00 C ATOM 1213 O HIS A 79 -12.749 -4.366 10.613 1.00 0.00 O ATOM 1214 CB HIS A 79 -11.191 -6.626 8.768 1.00 0.00 C ATOM 1215 CG HIS A 79 -10.256 -5.447 8.617 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -8.895 -5.463 8.822 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -10.594 -4.162 8.280 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -8.420 -4.223 8.613 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -9.423 -3.389 8.280 1.00 0.00 N ATOM 0 H HIS A 79 -12.592 -8.520 9.490 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.328 -6.399 10.894 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.610 -7.548 8.742 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.871 -6.653 7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.588 -3.806 8.054 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.382 -3.937 8.700 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.347 -2.394 8.070 1.00 0.00 H new ATOM 1227 N LEU A 80 -14.237 -5.648 9.530 1.00 0.00 N ATOM 1228 CA LEU A 80 -15.305 -4.646 9.544 1.00 0.00 C ATOM 1229 C LEU A 80 -15.796 -4.340 10.967 1.00 0.00 C ATOM 1230 O LEU A 80 -15.952 -3.173 11.322 1.00 0.00 O ATOM 1231 CB LEU A 80 -16.463 -5.097 8.636 1.00 0.00 C ATOM 1232 CG LEU A 80 -17.559 -4.027 8.489 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -17.033 -2.740 7.847 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -18.696 -4.564 7.628 1.00 0.00 C ATOM 0 H LEU A 80 -14.500 -6.523 9.076 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.895 -3.715 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.070 -5.345 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.903 -6.008 9.042 1.00 0.00 H new ATOM 0 HG LEU A 80 -17.909 -3.792 9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.844 -2.016 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.237 -2.324 8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.643 -2.962 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -19.468 -3.801 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -18.313 -4.824 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -19.121 -5.451 8.098 1.00 0.00 H new ATOM 1246 N LYS A 81 -15.973 -5.362 11.814 1.00 0.00 N ATOM 1247 CA LYS A 81 -16.312 -5.180 13.237 1.00 0.00 C ATOM 1248 C LYS A 81 -15.241 -4.356 13.965 1.00 0.00 C ATOM 1249 O LYS A 81 -15.571 -3.450 14.727 1.00 0.00 O ATOM 1250 CB LYS A 81 -16.519 -6.565 13.876 1.00 0.00 C ATOM 1251 CG LYS A 81 -17.108 -6.533 15.296 1.00 0.00 C ATOM 1252 CD LYS A 81 -18.553 -6.008 15.335 1.00 0.00 C ATOM 1253 CE LYS A 81 -19.223 -6.261 16.694 1.00 0.00 C ATOM 1254 NZ LYS A 81 -18.710 -5.366 17.763 1.00 0.00 N ATOM 0 H LYS A 81 -15.886 -6.339 11.535 1.00 0.00 H new ATOM 0 HA LYS A 81 -17.238 -4.612 13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -17.179 -7.151 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.561 -7.084 13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -17.081 -7.538 15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.482 -5.905 15.929 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.556 -4.939 15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.135 -6.490 14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -20.300 -6.122 16.595 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -19.061 -7.299 16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.093 -5.667 18.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.671 -5.415 17.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.006 -4.388 17.568 1.00 0.00 H new ATOM 1268 N VAL A 82 -13.964 -4.598 13.659 1.00 0.00 N ATOM 1269 CA VAL A 82 -12.814 -3.847 14.198 1.00 0.00 C ATOM 1270 C VAL A 82 -12.721 -2.421 13.622 1.00 0.00 C ATOM 1271 O VAL A 82 -12.286 -1.511 14.326 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.524 -4.676 14.003 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.243 -3.927 14.382 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.569 -5.945 14.866 1.00 0.00 C ATOM 0 H VAL A 82 -13.688 -5.339 13.014 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.957 -3.699 15.268 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.493 -4.902 12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.381 -4.574 14.218 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.148 -3.033 13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.287 -3.640 15.433 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.654 -6.518 14.718 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.658 -5.668 15.916 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.428 -6.551 14.577 1.00 0.00 H new ATOM 1284 N HIS A 83 -13.164 -2.168 12.385 1.00 0.00 N ATOM 1285 CA HIS A 83 -13.337 -0.805 11.853 1.00 0.00 C ATOM 1286 C HIS A 83 -14.432 -0.056 12.630 1.00 0.00 C ATOM 1287 O HIS A 83 -14.209 1.063 13.090 1.00 0.00 O ATOM 1288 CB HIS A 83 -13.648 -0.854 10.343 1.00 0.00 C ATOM 1289 CG HIS A 83 -14.223 0.430 9.786 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -13.513 1.524 9.353 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -15.551 0.730 9.624 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -14.382 2.463 8.947 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -15.659 2.036 9.102 1.00 0.00 N ATOM 0 H HIS A 83 -13.414 -2.901 11.721 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.405 -0.255 11.985 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.732 -1.093 9.802 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.351 -1.666 10.154 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -12.497 1.608 9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.377 0.075 9.857 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.102 3.428 8.551 1.00 0.00 H new ATOM 1301 N ILE A 84 -15.593 -0.686 12.835 1.00 0.00 N ATOM 1302 CA ILE A 84 -16.730 -0.092 13.554 1.00 0.00 C ATOM 1303 C ILE A 84 -16.340 0.254 15.000 1.00 0.00 C ATOM 1304 O ILE A 84 -16.562 1.382 15.438 1.00 0.00 O ATOM 1305 CB ILE A 84 -17.973 -1.010 13.440 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -18.464 -1.068 11.971 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -19.118 -0.524 14.349 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -19.470 -2.191 11.684 1.00 0.00 C ATOM 0 H ILE A 84 -15.774 -1.633 12.504 1.00 0.00 H new ATOM 0 HA ILE A 84 -17.006 0.855 13.090 1.00 0.00 H new ATOM 0 HB ILE A 84 -17.678 -2.007 13.766 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -18.922 -0.112 11.715 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -17.601 -1.193 11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.974 -1.191 14.244 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.784 -0.523 15.386 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.408 0.486 14.060 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -19.761 -2.159 10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -19.012 -3.155 11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -20.353 -2.057 12.309 1.00 0.00 H new ATOM 1320 N GLU A 85 -15.679 -0.664 15.709 1.00 0.00 N ATOM 1321 CA GLU A 85 -15.247 -0.466 17.101 1.00 0.00 C ATOM 1322 C GLU A 85 -14.221 0.668 17.295 1.00 0.00 C ATOM 1323 O GLU A 85 -14.183 1.272 18.370 1.00 0.00 O ATOM 1324 CB GLU A 85 -14.663 -1.782 17.645 1.00 0.00 C ATOM 1325 CG GLU A 85 -15.765 -2.793 17.992 1.00 0.00 C ATOM 1326 CD GLU A 85 -15.233 -4.175 18.428 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -14.029 -4.328 18.748 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -16.055 -5.122 18.477 1.00 0.00 O ATOM 0 H GLU A 85 -15.424 -1.577 15.332 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.137 -0.165 17.654 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.992 -2.216 16.904 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.066 -1.575 18.533 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.381 -2.383 18.792 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.413 -2.921 17.125 1.00 0.00 H new ATOM 1335 N ARG A 86 -13.405 0.979 16.276 1.00 0.00 N ATOM 1336 CA ARG A 86 -12.393 2.053 16.317 1.00 0.00 C ATOM 1337 C ARG A 86 -12.895 3.405 15.805 1.00 0.00 C ATOM 1338 O ARG A 86 -12.535 4.440 16.368 1.00 0.00 O ATOM 1339 CB ARG A 86 -11.162 1.623 15.515 1.00 0.00 C ATOM 1340 CG ARG A 86 -10.406 0.472 16.197 1.00 0.00 C ATOM 1341 CD ARG A 86 -9.185 0.079 15.368 1.00 0.00 C ATOM 1342 NE ARG A 86 -9.576 -0.471 14.054 1.00 0.00 N ATOM 1343 CZ ARG A 86 -8.830 -0.555 12.967 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -7.591 -0.155 12.942 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -9.319 -1.053 11.865 1.00 0.00 N ATOM 0 H ARG A 86 -13.428 0.485 15.384 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.145 2.201 17.368 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.470 1.314 14.516 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.493 2.475 15.393 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.094 0.774 17.197 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.066 -0.387 16.315 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.547 0.951 15.223 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.597 -0.660 15.912 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.529 -0.826 13.977 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.165 0.239 13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.046 -0.236 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.284 -1.381 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.736 -1.114 11.030 1.00 0.00 H new ATOM 1359 N VAL A 87 -13.687 3.406 14.729 1.00 0.00 N ATOM 1360 CA VAL A 87 -14.066 4.623 13.983 1.00 0.00 C ATOM 1361 C VAL A 87 -15.440 5.167 14.393 1.00 0.00 C ATOM 1362 O VAL A 87 -15.625 6.385 14.423 1.00 0.00 O ATOM 1363 CB VAL A 87 -13.984 4.365 12.459 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -14.279 5.624 11.632 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -12.577 3.892 12.054 1.00 0.00 C ATOM 0 H VAL A 87 -14.091 2.554 14.342 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.348 5.401 14.243 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.735 3.602 12.254 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -14.208 5.387 10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.284 5.980 11.858 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.555 6.400 11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.547 3.718 10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.846 4.656 12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.340 2.966 12.578 1.00 0.00 H new ATOM 1375 N HIS A 88 -16.393 4.294 14.738 1.00 0.00 N ATOM 1376 CA HIS A 88 -17.792 4.671 15.001 1.00 0.00 C ATOM 1377 C HIS A 88 -18.244 4.419 16.451 1.00 0.00 C ATOM 1378 O HIS A 88 -19.169 5.084 16.928 1.00 0.00 O ATOM 1379 CB HIS A 88 -18.691 3.962 13.978 1.00 0.00 C ATOM 1380 CG HIS A 88 -18.290 4.241 12.547 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -18.296 5.464 11.917 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -17.841 3.327 11.637 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -17.870 5.296 10.655 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -17.577 3.994 10.425 1.00 0.00 N ATOM 0 H HIS A 88 -16.216 3.295 14.844 1.00 0.00 H new ATOM 0 HA HIS A 88 -17.879 5.751 14.882 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -18.657 2.887 14.156 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -19.723 4.278 14.129 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -17.710 2.270 11.817 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -17.774 6.087 9.926 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -17.236 3.583 9.556 1.00 0.00 H new