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 67 CYS SG : rot 137:sc= 2.3 USER MOD Set 1.2: A 70 CYS SG : rot -41:sc= 1.45 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.752 K(o=4.7,f=-2.2) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.209 K(o=4.7,f=-2.2) USER MOD Set 2.1: A 40 CYS SG : rot 100:sc= 2.23 USER MOD Set 2.2: A 43 CYS SG : rot -42:sc= 1.14 USER MOD Set 2.3: A 56 HIS : no HE2:sc= 0.143 K(o=4,f=-1.9) USER MOD Set 2.4: A 60 HIS : no HD1:sc= 0.453 K(o=4,f=-1.6) USER MOD Set 3.1: A 23 HIS : no HD1:sc= -0.0475 X(o=-0.047,f=-0.047) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 12 CYS SG : rot 110:sc= 1.94 USER MOD Set 4.2: A 15 CYS SG : rot -37:sc= 2.42 USER MOD Set 4.3: A 17 LYS NZ :NH3+ 162:sc= 1.35 (180deg=-0.225) USER MOD Set 4.4: A 28 HIS : no HD1:sc= 0.201 K(o=5.9,f=2.6) 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= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.45) 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 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0017 USER MOD Single : A 47 SER OG : rot 142:sc= 1.17 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 54 ASN : amide:sc= 0.459 K(o=0.46,f=-3.1!) 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 74 CYS SG : rot 96:sc= 0.454 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.368 K(o=0.37,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 5.131 15.037 -0.313 1.00 0.00 N ATOM 110 CA PHE A 10 5.319 13.867 -1.179 1.00 0.00 C ATOM 111 C PHE A 10 5.431 12.587 -0.335 1.00 0.00 C ATOM 112 O PHE A 10 6.123 12.580 0.681 1.00 0.00 O ATOM 113 CB PHE A 10 6.565 14.099 -2.050 1.00 0.00 C ATOM 114 CG PHE A 10 6.455 15.288 -2.988 1.00 0.00 C ATOM 115 CD1 PHE A 10 6.781 16.584 -2.540 1.00 0.00 C ATOM 116 CD2 PHE A 10 6.008 15.102 -4.311 1.00 0.00 C ATOM 117 CE1 PHE A 10 6.664 17.685 -3.406 1.00 0.00 C ATOM 118 CE2 PHE A 10 5.893 16.202 -5.180 1.00 0.00 C ATOM 119 CZ PHE A 10 6.225 17.492 -4.728 1.00 0.00 C ATOM 0 HA PHE A 10 4.457 13.735 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.428 14.242 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.755 13.202 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.122 16.732 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.753 14.112 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.911 18.677 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.550 16.056 -6.194 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.143 18.336 -5.397 1.00 0.00 H new ATOM 129 N THR A 11 4.772 11.497 -0.741 1.00 0.00 N ATOM 130 CA THR A 11 4.624 10.280 0.082 1.00 0.00 C ATOM 131 C THR A 11 4.926 9.008 -0.716 1.00 0.00 C ATOM 132 O THR A 11 4.443 8.842 -1.839 1.00 0.00 O ATOM 133 CB THR A 11 3.205 10.217 0.680 1.00 0.00 C ATOM 134 OG1 THR A 11 2.907 11.416 1.370 1.00 0.00 O ATOM 135 CG2 THR A 11 3.036 9.084 1.688 1.00 0.00 C ATOM 0 H THR A 11 4.322 11.428 -1.654 1.00 0.00 H new ATOM 0 HA THR A 11 5.354 10.335 0.890 1.00 0.00 H new ATOM 0 HB THR A 11 2.538 10.055 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.002 11.363 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.017 9.090 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.233 8.130 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.737 9.222 2.511 1.00 0.00 H new ATOM 143 N CYS A 12 5.699 8.094 -0.120 1.00 0.00 N ATOM 144 CA CYS A 12 6.023 6.779 -0.667 1.00 0.00 C ATOM 145 C CYS A 12 4.806 5.837 -0.617 1.00 0.00 C ATOM 146 O CYS A 12 4.177 5.658 0.429 1.00 0.00 O ATOM 147 CB CYS A 12 7.229 6.236 0.111 1.00 0.00 C ATOM 148 SG CYS A 12 7.698 4.601 -0.518 1.00 0.00 S ATOM 0 H CYS A 12 6.130 8.259 0.790 1.00 0.00 H new ATOM 0 HA CYS A 12 6.284 6.854 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.070 6.924 0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.986 6.169 1.172 1.00 0.00 H new ATOM 0 HG CYS A 12 8.832 4.687 -1.148 1.00 0.00 H new ATOM 153 N GLU A 13 4.485 5.206 -1.746 1.00 0.00 N ATOM 154 CA GLU A 13 3.392 4.226 -1.852 1.00 0.00 C ATOM 155 C GLU A 13 3.793 2.805 -1.401 1.00 0.00 C ATOM 156 O GLU A 13 2.934 1.924 -1.310 1.00 0.00 O ATOM 157 CB GLU A 13 2.798 4.250 -3.271 1.00 0.00 C ATOM 158 CG GLU A 13 3.745 3.728 -4.359 1.00 0.00 C ATOM 159 CD GLU A 13 3.086 3.829 -5.749 1.00 0.00 C ATOM 160 OE1 GLU A 13 2.307 2.919 -6.127 1.00 0.00 O ATOM 161 OE2 GLU A 13 3.328 4.828 -6.471 1.00 0.00 O ATOM 0 H GLU A 13 4.979 5.359 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 13 2.616 4.527 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.887 3.652 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.511 5.273 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.672 4.302 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.010 2.691 -4.151 1.00 0.00 H new ATOM 168 N TYR A 14 5.080 2.577 -1.105 1.00 0.00 N ATOM 169 CA TYR A 14 5.637 1.258 -0.773 1.00 0.00 C ATOM 170 C TYR A 14 5.974 1.084 0.719 1.00 0.00 C ATOM 171 O TYR A 14 5.858 -0.032 1.234 1.00 0.00 O ATOM 172 CB TYR A 14 6.881 1.010 -1.633 1.00 0.00 C ATOM 173 CG TYR A 14 6.658 1.029 -3.134 1.00 0.00 C ATOM 174 CD1 TYR A 14 6.207 -0.131 -3.794 1.00 0.00 C ATOM 175 CD2 TYR A 14 6.933 2.196 -3.874 1.00 0.00 C ATOM 176 CE1 TYR A 14 6.034 -0.129 -5.192 1.00 0.00 C ATOM 177 CE2 TYR A 14 6.763 2.202 -5.272 1.00 0.00 C ATOM 178 CZ TYR A 14 6.314 1.039 -5.935 1.00 0.00 C ATOM 179 OH TYR A 14 6.154 1.052 -7.287 1.00 0.00 O ATOM 0 H TYR A 14 5.778 3.320 -1.089 1.00 0.00 H new ATOM 0 HA TYR A 14 4.864 0.520 -0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.627 1.765 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.303 0.043 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.993 -1.025 -3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.275 3.087 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.688 -1.020 -5.695 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.976 3.097 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 14 6.391 1.937 -7.636 1.00 0.00 H new ATOM 189 N CYS A 15 6.372 2.160 1.418 1.00 0.00 N ATOM 190 CA CYS A 15 6.690 2.152 2.858 1.00 0.00 C ATOM 191 C CYS A 15 6.063 3.309 3.678 1.00 0.00 C ATOM 192 O CYS A 15 6.348 3.456 4.870 1.00 0.00 O ATOM 193 CB CYS A 15 8.208 1.992 3.060 1.00 0.00 C ATOM 194 SG CYS A 15 9.136 3.445 2.526 1.00 0.00 S ATOM 0 H CYS A 15 6.484 3.079 0.990 1.00 0.00 H new ATOM 0 HA CYS A 15 6.197 1.279 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.413 1.802 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.555 1.120 2.505 1.00 0.00 H new ATOM 0 HG CYS A 15 8.585 3.944 1.459 1.00 0.00 H new ATOM 199 N ASN A 16 5.177 4.106 3.063 1.00 0.00 N ATOM 200 CA ASN A 16 4.398 5.193 3.685 1.00 0.00 C ATOM 201 C ASN A 16 5.225 6.339 4.321 1.00 0.00 C ATOM 202 O ASN A 16 4.685 7.169 5.059 1.00 0.00 O ATOM 203 CB ASN A 16 3.308 4.573 4.588 1.00 0.00 C ATOM 204 CG ASN A 16 2.194 5.541 4.962 1.00 0.00 C ATOM 205 OD1 ASN A 16 2.000 5.896 6.119 1.00 0.00 O ATOM 206 ND2 ASN A 16 1.398 5.970 4.007 1.00 0.00 N ATOM 0 H ASN A 16 4.972 4.007 2.069 1.00 0.00 H new ATOM 0 HA ASN A 16 3.902 5.748 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.873 3.713 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.774 4.201 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.624 6.595 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.555 5.678 3.042 1.00 0.00 H new ATOM 213 N LYS A 17 6.526 6.433 4.012 1.00 0.00 N ATOM 214 CA LYS A 17 7.394 7.566 4.377 1.00 0.00 C ATOM 215 C LYS A 17 6.969 8.858 3.678 1.00 0.00 C ATOM 216 O LYS A 17 6.450 8.833 2.562 1.00 0.00 O ATOM 217 CB LYS A 17 8.852 7.246 4.033 1.00 0.00 C ATOM 218 CG LYS A 17 9.467 6.228 4.995 1.00 0.00 C ATOM 219 CD LYS A 17 10.887 5.895 4.515 1.00 0.00 C ATOM 220 CE LYS A 17 11.539 4.726 5.259 1.00 0.00 C ATOM 221 NZ LYS A 17 10.725 3.482 5.176 1.00 0.00 N ATOM 0 H LYS A 17 7.017 5.708 3.489 1.00 0.00 H new ATOM 0 HA LYS A 17 7.296 7.720 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.906 6.859 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.438 8.165 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.495 6.633 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.858 5.325 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.854 5.662 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.514 6.779 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.529 4.539 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.680 4.997 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.319 2.662 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.931 3.541 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.355 3.373 4.210 1.00 0.00 H new ATOM 235 N VAL A 18 7.239 9.985 4.333 1.00 0.00 N ATOM 236 CA VAL A 18 6.851 11.337 3.896 1.00 0.00 C ATOM 237 C VAL A 18 8.090 12.222 3.699 1.00 0.00 C ATOM 238 O VAL A 18 9.017 12.202 4.512 1.00 0.00 O ATOM 239 CB VAL A 18 5.845 11.968 4.882 1.00 0.00 C ATOM 240 CG1 VAL A 18 5.363 13.337 4.396 1.00 0.00 C ATOM 241 CG2 VAL A 18 4.595 11.092 5.059 1.00 0.00 C ATOM 0 H VAL A 18 7.752 9.989 5.215 1.00 0.00 H new ATOM 0 HA VAL A 18 6.351 11.257 2.931 1.00 0.00 H new ATOM 0 HB VAL A 18 6.380 12.063 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.656 13.750 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.216 14.009 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.873 13.228 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.912 11.571 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.099 10.967 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.887 10.116 5.446 1.00 0.00 H new ATOM 251 N PHE A 19 8.092 13.003 2.617 1.00 0.00 N ATOM 252 CA PHE A 19 9.207 13.817 2.124 1.00 0.00 C ATOM 253 C PHE A 19 8.736 15.232 1.734 1.00 0.00 C ATOM 254 O PHE A 19 7.603 15.430 1.284 1.00 0.00 O ATOM 255 CB PHE A 19 9.863 13.103 0.928 1.00 0.00 C ATOM 256 CG PHE A 19 10.356 11.696 1.228 1.00 0.00 C ATOM 257 CD1 PHE A 19 11.636 11.493 1.779 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.516 10.589 0.998 1.00 0.00 C ATOM 259 CE1 PHE A 19 12.059 10.195 2.128 1.00 0.00 C ATOM 260 CE2 PHE A 19 9.940 9.293 1.343 1.00 0.00 C ATOM 261 CZ PHE A 19 11.208 9.095 1.924 1.00 0.00 C ATOM 0 H PHE A 19 7.266 13.090 2.025 1.00 0.00 H new ATOM 0 HA PHE A 19 9.942 13.933 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.144 13.056 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.704 13.703 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.295 12.334 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.542 10.736 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.040 10.045 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.292 8.448 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.525 8.103 2.211 1.00 0.00 H new ATOM 271 N LYS A 20 9.620 16.227 1.888 1.00 0.00 N ATOM 272 CA LYS A 20 9.317 17.651 1.639 1.00 0.00 C ATOM 273 C LYS A 20 9.318 18.034 0.150 1.00 0.00 C ATOM 274 O LYS A 20 8.637 18.983 -0.238 1.00 0.00 O ATOM 275 CB LYS A 20 10.293 18.507 2.468 1.00 0.00 C ATOM 276 CG LYS A 20 9.863 19.983 2.532 1.00 0.00 C ATOM 277 CD LYS A 20 10.735 20.820 3.477 1.00 0.00 C ATOM 278 CE LYS A 20 10.520 20.452 4.953 1.00 0.00 C ATOM 279 NZ LYS A 20 11.316 21.326 5.855 1.00 0.00 N ATOM 0 H LYS A 20 10.580 16.068 2.193 1.00 0.00 H new ATOM 0 HA LYS A 20 8.293 17.845 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.357 18.105 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.291 18.440 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.906 20.412 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.825 20.040 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.785 20.678 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.511 21.877 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.462 20.540 5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.800 19.411 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.147 21.050 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.327 21.223 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.031 22.317 5.719 1.00 0.00 H new ATOM 293 N PHE A 21 10.052 17.295 -0.686 1.00 0.00 N ATOM 294 CA PHE A 21 10.267 17.612 -2.104 1.00 0.00 C ATOM 295 C PHE A 21 10.160 16.381 -3.015 1.00 0.00 C ATOM 296 O PHE A 21 10.451 15.253 -2.606 1.00 0.00 O ATOM 297 CB PHE A 21 11.640 18.280 -2.281 1.00 0.00 C ATOM 298 CG PHE A 21 11.867 19.521 -1.435 1.00 0.00 C ATOM 299 CD1 PHE A 21 11.205 20.724 -1.749 1.00 0.00 C ATOM 300 CD2 PHE A 21 12.744 19.477 -0.333 1.00 0.00 C ATOM 301 CE1 PHE A 21 11.415 21.874 -0.966 1.00 0.00 C ATOM 302 CE2 PHE A 21 12.958 20.628 0.447 1.00 0.00 C ATOM 303 CZ PHE A 21 12.293 21.826 0.132 1.00 0.00 C ATOM 0 H PHE A 21 10.525 16.440 -0.391 1.00 0.00 H new ATOM 0 HA PHE A 21 9.473 18.296 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.415 17.551 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.764 18.547 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.534 20.764 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.253 18.557 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.902 22.793 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.634 20.591 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.456 22.709 0.733 1.00 0.00 H new ATOM 313 N LYS A 22 9.813 16.619 -4.288 1.00 0.00 N ATOM 314 CA LYS A 22 9.682 15.585 -5.328 1.00 0.00 C ATOM 315 C LYS A 22 10.989 14.827 -5.559 1.00 0.00 C ATOM 316 O LYS A 22 10.980 13.601 -5.651 1.00 0.00 O ATOM 317 CB LYS A 22 9.184 16.253 -6.624 1.00 0.00 C ATOM 318 CG LYS A 22 8.672 15.232 -7.651 1.00 0.00 C ATOM 319 CD LYS A 22 8.135 15.948 -8.898 1.00 0.00 C ATOM 320 CE LYS A 22 7.553 14.933 -9.887 1.00 0.00 C ATOM 321 NZ LYS A 22 7.055 15.594 -11.123 1.00 0.00 N ATOM 0 H LYS A 22 9.611 17.557 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 22 8.959 14.840 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.385 16.954 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.995 16.833 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.478 14.554 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.885 14.623 -7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.367 16.666 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.937 16.512 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.316 14.200 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.737 14.388 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.668 14.876 -11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.309 16.275 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.839 16.093 -11.590 1.00 0.00 H new ATOM 335 N HIS A 23 12.120 15.536 -5.585 1.00 0.00 N ATOM 336 CA HIS A 23 13.448 14.938 -5.767 1.00 0.00 C ATOM 337 C HIS A 23 13.860 14.030 -4.595 1.00 0.00 C ATOM 338 O HIS A 23 14.502 13.003 -4.817 1.00 0.00 O ATOM 339 CB HIS A 23 14.485 16.037 -6.053 1.00 0.00 C ATOM 340 CG HIS A 23 14.607 17.120 -5.005 1.00 0.00 C ATOM 341 ND1 HIS A 23 14.153 18.417 -5.122 1.00 0.00 N ATOM 342 CD2 HIS A 23 15.266 17.035 -3.807 1.00 0.00 C ATOM 343 CE1 HIS A 23 14.527 19.095 -4.024 1.00 0.00 C ATOM 344 NE2 HIS A 23 15.209 18.292 -3.188 1.00 0.00 N ATOM 0 H HIS A 23 12.142 16.550 -5.480 1.00 0.00 H new ATOM 0 HA HIS A 23 13.402 14.279 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 23 15.460 15.566 -6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.235 16.506 -7.005 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.746 16.153 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.311 20.137 -3.839 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.606 18.547 -2.284 1.00 0.00 H new ATOM 352 N SER A 24 13.436 14.343 -3.365 1.00 0.00 N ATOM 353 CA SER A 24 13.685 13.503 -2.183 1.00 0.00 C ATOM 354 C SER A 24 12.916 12.181 -2.260 1.00 0.00 C ATOM 355 O SER A 24 13.500 11.121 -2.026 1.00 0.00 O ATOM 356 CB SER A 24 13.322 14.248 -0.895 1.00 0.00 C ATOM 357 OG SER A 24 14.068 15.448 -0.792 1.00 0.00 O ATOM 0 H SER A 24 12.907 15.191 -3.158 1.00 0.00 H new ATOM 0 HA SER A 24 14.751 13.275 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.256 14.473 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.521 13.613 -0.032 1.00 0.00 H new ATOM 0 HG SER A 24 13.825 15.915 0.035 1.00 0.00 H new ATOM 363 N LEU A 25 11.639 12.214 -2.668 1.00 0.00 N ATOM 364 CA LEU A 25 10.865 10.995 -2.924 1.00 0.00 C ATOM 365 C LEU A 25 11.424 10.200 -4.118 1.00 0.00 C ATOM 366 O LEU A 25 11.575 8.987 -4.016 1.00 0.00 O ATOM 367 CB LEU A 25 9.374 11.343 -3.100 1.00 0.00 C ATOM 368 CG LEU A 25 8.491 10.122 -3.444 1.00 0.00 C ATOM 369 CD1 LEU A 25 8.526 9.031 -2.373 1.00 0.00 C ATOM 370 CD2 LEU A 25 7.035 10.542 -3.622 1.00 0.00 C ATOM 0 H LEU A 25 11.120 13.077 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 25 10.958 10.340 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.005 11.801 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.274 12.088 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 25 8.904 9.719 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.885 8.203 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.548 8.673 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.169 9.438 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.431 9.667 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.670 10.991 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.962 11.268 -4.432 1.00 0.00 H new ATOM 382 N GLN A 26 11.792 10.851 -5.226 1.00 0.00 N ATOM 383 CA GLN A 26 12.373 10.175 -6.397 1.00 0.00 C ATOM 384 C GLN A 26 13.701 9.467 -6.080 1.00 0.00 C ATOM 385 O GLN A 26 13.924 8.342 -6.530 1.00 0.00 O ATOM 386 CB GLN A 26 12.562 11.184 -7.542 1.00 0.00 C ATOM 387 CG GLN A 26 11.242 11.519 -8.261 1.00 0.00 C ATOM 388 CD GLN A 26 10.646 10.358 -9.067 1.00 0.00 C ATOM 389 OE1 GLN A 26 11.285 9.360 -9.376 1.00 0.00 O ATOM 390 NE2 GLN A 26 9.391 10.446 -9.450 1.00 0.00 N ATOM 0 H GLN A 26 11.697 11.860 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 26 11.672 9.398 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.998 12.101 -7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.272 10.780 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.511 11.844 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.412 12.361 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.839 11.268 -9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.969 9.692 -9.993 1.00 0.00 H new ATOM 399 N ALA A 27 14.560 10.077 -5.259 1.00 0.00 N ATOM 400 CA ALA A 27 15.802 9.455 -4.804 1.00 0.00 C ATOM 401 C ALA A 27 15.569 8.337 -3.769 1.00 0.00 C ATOM 402 O ALA A 27 16.314 7.354 -3.756 1.00 0.00 O ATOM 403 CB ALA A 27 16.713 10.552 -4.260 1.00 0.00 C ATOM 0 H ALA A 27 14.412 11.017 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 27 16.279 8.960 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.648 10.110 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.923 11.275 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.220 11.055 -3.428 1.00 0.00 H new ATOM 409 N HIS A 28 14.520 8.435 -2.945 1.00 0.00 N ATOM 410 CA HIS A 28 14.087 7.354 -2.058 1.00 0.00 C ATOM 411 C HIS A 28 13.524 6.151 -2.841 1.00 0.00 C ATOM 412 O HIS A 28 13.856 5.004 -2.540 1.00 0.00 O ATOM 413 CB HIS A 28 13.055 7.901 -1.059 1.00 0.00 C ATOM 414 CG HIS A 28 12.399 6.803 -0.264 1.00 0.00 C ATOM 415 ND1 HIS A 28 13.015 6.010 0.671 1.00 0.00 N ATOM 416 CD2 HIS A 28 11.135 6.315 -0.449 1.00 0.00 C ATOM 417 CE1 HIS A 28 12.155 5.054 1.041 1.00 0.00 C ATOM 418 NE2 HIS A 28 10.975 5.191 0.385 1.00 0.00 N ATOM 0 H HIS A 28 13.944 9.274 -2.876 1.00 0.00 H new ATOM 0 HA HIS A 28 14.956 6.985 -1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.544 8.598 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.292 8.463 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.390 6.720 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.370 4.280 1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.146 4.603 0.477 1.00 0.00 H new ATOM 426 N LEU A 29 12.715 6.397 -3.880 1.00 0.00 N ATOM 427 CA LEU A 29 12.047 5.367 -4.688 1.00 0.00 C ATOM 428 C LEU A 29 13.010 4.381 -5.370 1.00 0.00 C ATOM 429 O LEU A 29 12.586 3.271 -5.694 1.00 0.00 O ATOM 430 CB LEU A 29 11.129 6.047 -5.728 1.00 0.00 C ATOM 431 CG LEU A 29 9.764 6.500 -5.174 1.00 0.00 C ATOM 432 CD1 LEU A 29 9.066 7.407 -6.187 1.00 0.00 C ATOM 433 CD2 LEU A 29 8.833 5.316 -4.904 1.00 0.00 C ATOM 0 H LEU A 29 12.501 7.345 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 29 11.457 4.761 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.646 6.914 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.961 5.355 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 29 9.962 7.024 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.102 7.723 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.685 8.284 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.913 6.862 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.883 5.682 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.659 4.771 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.293 4.651 -4.173 1.00 0.00 H new ATOM 445 N ARG A 30 14.302 4.716 -5.510 1.00 0.00 N ATOM 446 CA ARG A 30 15.340 3.822 -6.067 1.00 0.00 C ATOM 447 C ARG A 30 15.428 2.445 -5.382 1.00 0.00 C ATOM 448 O ARG A 30 15.825 1.479 -6.033 1.00 0.00 O ATOM 449 CB ARG A 30 16.708 4.519 -6.010 1.00 0.00 C ATOM 450 CG ARG A 30 16.784 5.766 -6.912 1.00 0.00 C ATOM 451 CD ARG A 30 18.174 6.419 -6.876 1.00 0.00 C ATOM 452 NE ARG A 30 18.490 6.944 -5.533 1.00 0.00 N ATOM 453 CZ ARG A 30 19.625 7.479 -5.126 1.00 0.00 C ATOM 454 NH1 ARG A 30 20.648 7.632 -5.918 1.00 0.00 N ATOM 455 NH2 ARG A 30 19.743 7.876 -3.892 1.00 0.00 N ATOM 0 H ARG A 30 14.665 5.629 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 30 15.045 3.625 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.920 4.808 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.483 3.813 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.541 5.487 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.035 6.490 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.928 5.689 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.215 7.229 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 30 17.744 6.886 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.588 7.333 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.509 8.050 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.960 7.773 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.618 8.290 -3.571 1.00 0.00 H new ATOM 469 N ILE A 31 15.034 2.329 -4.106 1.00 0.00 N ATOM 470 CA ILE A 31 15.004 1.049 -3.368 1.00 0.00 C ATOM 471 C ILE A 31 13.772 0.177 -3.678 1.00 0.00 C ATOM 472 O ILE A 31 13.764 -1.027 -3.409 1.00 0.00 O ATOM 473 CB ILE A 31 15.145 1.278 -1.851 1.00 0.00 C ATOM 474 CG1 ILE A 31 13.850 1.777 -1.170 1.00 0.00 C ATOM 475 CG2 ILE A 31 16.363 2.169 -1.542 1.00 0.00 C ATOM 476 CD1 ILE A 31 13.994 1.958 0.342 1.00 0.00 C ATOM 0 H ILE A 31 14.724 3.125 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 31 15.867 0.486 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 31 15.325 0.300 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.555 2.727 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.046 1.068 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.442 2.317 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 31 17.269 1.687 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.241 3.135 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.050 2.310 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.259 1.005 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.776 2.689 0.548 1.00 0.00 H new ATOM 570 N PRO A 37 10.814 -11.314 -8.476 1.00 0.00 N ATOM 571 CA PRO A 37 10.519 -12.568 -9.177 1.00 0.00 C ATOM 572 C PRO A 37 9.021 -12.897 -9.211 1.00 0.00 C ATOM 573 O PRO A 37 8.508 -13.317 -10.250 1.00 0.00 O ATOM 574 CB PRO A 37 11.308 -13.652 -8.439 1.00 0.00 C ATOM 575 CG PRO A 37 11.575 -13.072 -7.048 1.00 0.00 C ATOM 576 CD PRO A 37 11.586 -11.562 -7.267 1.00 0.00 C ATOM 0 HA PRO A 37 10.809 -12.492 -10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.740 -14.580 -8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.240 -13.883 -8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.801 -13.366 -6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.525 -13.423 -6.646 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.148 -11.043 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.606 -11.193 -7.376 1.00 0.00 H new ATOM 584 N TYR A 38 8.316 -12.692 -8.094 1.00 0.00 N ATOM 585 CA TYR A 38 6.903 -13.055 -7.946 1.00 0.00 C ATOM 586 C TYR A 38 5.995 -11.849 -8.220 1.00 0.00 C ATOM 587 O TYR A 38 6.026 -10.854 -7.490 1.00 0.00 O ATOM 588 CB TYR A 38 6.652 -13.688 -6.571 1.00 0.00 C ATOM 589 CG TYR A 38 7.485 -14.930 -6.324 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.142 -16.161 -6.914 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.648 -14.831 -5.547 1.00 0.00 C ATOM 592 CE1 TYR A 38 7.977 -17.281 -6.729 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.486 -15.941 -5.351 1.00 0.00 C ATOM 594 CZ TYR A 38 9.151 -17.176 -5.947 1.00 0.00 C ATOM 595 OH TYR A 38 9.941 -18.270 -5.770 1.00 0.00 O ATOM 0 H TYR A 38 8.715 -12.265 -7.258 1.00 0.00 H new ATOM 0 HA TYR A 38 6.651 -13.808 -8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.868 -12.953 -5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.596 -13.943 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.243 -16.247 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.904 -13.886 -5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.719 -18.225 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.379 -15.850 -4.750 1.00 0.00 H new ATOM 0 HH TYR A 38 10.709 -18.032 -5.209 1.00 0.00 H new ATOM 605 N LYS A 39 5.210 -11.952 -9.297 1.00 0.00 N ATOM 606 CA LYS A 39 4.365 -10.914 -9.906 1.00 0.00 C ATOM 607 C LYS A 39 2.954 -11.455 -10.172 1.00 0.00 C ATOM 608 O LYS A 39 2.802 -12.622 -10.545 1.00 0.00 O ATOM 609 CB LYS A 39 5.023 -10.469 -11.219 1.00 0.00 C ATOM 610 CG LYS A 39 6.252 -9.589 -10.944 1.00 0.00 C ATOM 611 CD LYS A 39 7.119 -9.347 -12.179 1.00 0.00 C ATOM 612 CE LYS A 39 7.882 -10.614 -12.595 1.00 0.00 C ATOM 613 NZ LYS A 39 8.833 -10.341 -13.702 1.00 0.00 N ATOM 0 H LYS A 39 5.142 -12.832 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 39 4.272 -10.066 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.319 -11.344 -11.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.303 -9.917 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.920 -8.629 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.859 -10.059 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.491 -9.013 -13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.829 -8.546 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.425 -11.010 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.173 -11.381 -12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.330 -11.218 -13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.311 -9.986 -14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.525 -9.627 -13.397 1.00 0.00 H new ATOM 627 N CYS A 40 1.935 -10.615 -10.012 1.00 0.00 N ATOM 628 CA CYS A 40 0.537 -10.972 -10.245 1.00 0.00 C ATOM 629 C CYS A 40 0.223 -11.112 -11.754 1.00 0.00 C ATOM 630 O CYS A 40 0.637 -10.259 -12.550 1.00 0.00 O ATOM 631 CB CYS A 40 -0.337 -9.927 -9.547 1.00 0.00 C ATOM 632 SG CYS A 40 -2.102 -10.320 -9.703 1.00 0.00 S ATOM 0 H CYS A 40 2.059 -9.648 -9.711 1.00 0.00 H new ATOM 0 HA CYS A 40 0.323 -11.954 -9.823 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.068 -9.873 -8.492 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.143 -8.944 -9.977 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.520 -10.881 -8.607 1.00 0.00 H new ATOM 637 N PRO A 41 -0.516 -12.158 -12.174 1.00 0.00 N ATOM 638 CA PRO A 41 -1.005 -12.303 -13.544 1.00 0.00 C ATOM 639 C PRO A 41 -2.216 -11.400 -13.854 1.00 0.00 C ATOM 640 O PRO A 41 -2.605 -11.299 -15.021 1.00 0.00 O ATOM 641 CB PRO A 41 -1.357 -13.790 -13.670 1.00 0.00 C ATOM 642 CG PRO A 41 -1.809 -14.166 -12.261 1.00 0.00 C ATOM 643 CD PRO A 41 -0.912 -13.306 -11.373 1.00 0.00 C ATOM 0 HA PRO A 41 -0.253 -11.988 -14.267 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.147 -13.956 -14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.498 -14.381 -13.988 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.865 -13.945 -12.103 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.673 -15.229 -12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.444 -12.988 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.039 -13.869 -11.043 1.00 0.00 H new ATOM 651 N GLN A 42 -2.826 -10.756 -12.845 1.00 0.00 N ATOM 652 CA GLN A 42 -4.075 -9.991 -12.986 1.00 0.00 C ATOM 653 C GLN A 42 -3.952 -8.482 -12.693 1.00 0.00 C ATOM 654 O GLN A 42 -4.771 -7.722 -13.219 1.00 0.00 O ATOM 655 CB GLN A 42 -5.173 -10.631 -12.117 1.00 0.00 C ATOM 656 CG GLN A 42 -5.627 -11.988 -12.675 1.00 0.00 C ATOM 657 CD GLN A 42 -6.807 -12.558 -11.895 1.00 0.00 C ATOM 658 OE1 GLN A 42 -7.966 -12.289 -12.189 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.571 -13.356 -10.874 1.00 0.00 N ATOM 0 H GLN A 42 -2.459 -10.753 -11.893 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.342 -10.044 -14.041 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.801 -10.762 -11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.028 -9.958 -12.059 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.905 -11.875 -13.723 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.795 -12.691 -12.640 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.611 -13.588 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.348 -13.742 -10.338 1.00 0.00 H new ATOM 668 N CYS A 43 -2.969 -8.023 -11.904 1.00 0.00 N ATOM 669 CA CYS A 43 -2.755 -6.596 -11.631 1.00 0.00 C ATOM 670 C CYS A 43 -1.259 -6.219 -11.523 1.00 0.00 C ATOM 671 O CYS A 43 -0.368 -7.045 -11.745 1.00 0.00 O ATOM 672 CB CYS A 43 -3.589 -6.207 -10.397 1.00 0.00 C ATOM 673 SG CYS A 43 -2.954 -6.961 -8.889 1.00 0.00 S ATOM 0 H CYS A 43 -2.299 -8.634 -11.437 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.102 -6.007 -12.480 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.590 -5.123 -10.287 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.624 -6.513 -10.548 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.626 -8.196 -9.126 1.00 0.00 H new ATOM 678 N SER A 44 -0.978 -4.952 -11.203 1.00 0.00 N ATOM 679 CA SER A 44 0.381 -4.392 -11.078 1.00 0.00 C ATOM 680 C SER A 44 1.160 -4.887 -9.843 1.00 0.00 C ATOM 681 O SER A 44 2.314 -4.499 -9.641 1.00 0.00 O ATOM 682 CB SER A 44 0.312 -2.856 -11.057 1.00 0.00 C ATOM 683 OG SER A 44 -0.390 -2.364 -12.190 1.00 0.00 O ATOM 0 H SER A 44 -1.708 -4.264 -11.017 1.00 0.00 H new ATOM 0 HA SER A 44 0.931 -4.748 -11.949 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.183 -2.523 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.321 -2.443 -11.042 1.00 0.00 H new ATOM 0 HG SER A 44 -0.423 -1.385 -12.155 1.00 0.00 H new ATOM 689 N TYR A 45 0.547 -5.724 -9.001 1.00 0.00 N ATOM 690 CA TYR A 45 1.124 -6.275 -7.776 1.00 0.00 C ATOM 691 C TYR A 45 2.355 -7.164 -8.019 1.00 0.00 C ATOM 692 O TYR A 45 2.404 -7.972 -8.949 1.00 0.00 O ATOM 693 CB TYR A 45 0.032 -7.074 -7.054 1.00 0.00 C ATOM 694 CG TYR A 45 0.490 -7.773 -5.783 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.067 -9.058 -5.842 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.347 -7.130 -4.537 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.492 -9.702 -4.664 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.764 -7.773 -3.355 1.00 0.00 C ATOM 699 CZ TYR A 45 1.335 -9.062 -3.417 1.00 0.00 C ATOM 700 OH TYR A 45 1.731 -9.697 -2.282 1.00 0.00 O ATOM 0 H TYR A 45 -0.406 -6.049 -9.164 1.00 0.00 H new ATOM 0 HA TYR A 45 1.478 -5.441 -7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.788 -6.400 -6.806 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.366 -7.822 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.184 -9.551 -6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.084 -6.141 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.937 -10.684 -4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.647 -7.280 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 45 1.556 -9.122 -1.508 1.00 0.00 H new ATOM 710 N ALA A 46 3.332 -7.047 -7.120 1.00 0.00 N ATOM 711 CA ALA A 46 4.477 -7.945 -6.991 1.00 0.00 C ATOM 712 C ALA A 46 4.934 -8.031 -5.521 1.00 0.00 C ATOM 713 O ALA A 46 4.746 -7.079 -4.756 1.00 0.00 O ATOM 714 CB ALA A 46 5.595 -7.475 -7.923 1.00 0.00 C ATOM 0 H ALA A 46 3.347 -6.292 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 46 4.193 -8.954 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.451 -8.143 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.238 -7.484 -8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.893 -6.462 -7.652 1.00 0.00 H new ATOM 720 N SER A 47 5.543 -9.154 -5.127 1.00 0.00 N ATOM 721 CA SER A 47 5.822 -9.474 -3.714 1.00 0.00 C ATOM 722 C SER A 47 7.260 -9.876 -3.372 1.00 0.00 C ATOM 723 O SER A 47 7.665 -9.729 -2.220 1.00 0.00 O ATOM 724 CB SER A 47 4.939 -10.654 -3.305 1.00 0.00 C ATOM 725 OG SER A 47 5.290 -11.794 -4.071 1.00 0.00 O ATOM 0 H SER A 47 5.859 -9.873 -5.778 1.00 0.00 H new ATOM 0 HA SER A 47 5.626 -8.543 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.063 -10.864 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.889 -10.407 -3.460 1.00 0.00 H new ATOM 0 HG SER A 47 5.239 -12.595 -3.508 1.00 0.00 H new ATOM 731 N ALA A 48 8.010 -10.418 -4.340 1.00 0.00 N ATOM 732 CA ALA A 48 9.285 -11.125 -4.124 1.00 0.00 C ATOM 733 C ALA A 48 9.182 -12.344 -3.167 1.00 0.00 C ATOM 734 O ALA A 48 10.209 -12.908 -2.781 1.00 0.00 O ATOM 735 CB ALA A 48 10.406 -10.164 -3.718 1.00 0.00 C ATOM 0 H ALA A 48 7.742 -10.377 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 48 9.548 -11.550 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.329 -10.724 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.554 -9.424 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.134 -9.658 -2.791 1.00 0.00 H new ATOM 741 N ILE A 49 7.963 -12.791 -2.820 1.00 0.00 N ATOM 742 CA ILE A 49 7.696 -13.950 -1.955 1.00 0.00 C ATOM 743 C ILE A 49 6.506 -14.753 -2.501 1.00 0.00 C ATOM 744 O ILE A 49 5.391 -14.233 -2.629 1.00 0.00 O ATOM 745 CB ILE A 49 7.447 -13.519 -0.486 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.549 -12.578 0.055 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.348 -14.776 0.399 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.372 -12.169 1.524 1.00 0.00 C ATOM 0 H ILE A 49 7.108 -12.339 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 49 8.580 -14.587 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 49 6.513 -12.958 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.516 -13.068 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.574 -11.678 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.173 -14.480 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.522 -15.399 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.279 -15.340 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.188 -11.510 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.423 -11.647 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.379 -13.059 2.153 1.00 0.00 H new ATOM 760 N LYS A 50 6.725 -16.047 -2.763 1.00 0.00 N ATOM 761 CA LYS A 50 5.732 -16.969 -3.351 1.00 0.00 C ATOM 762 C LYS A 50 4.466 -17.096 -2.497 1.00 0.00 C ATOM 763 O LYS A 50 3.355 -16.992 -3.013 1.00 0.00 O ATOM 764 CB LYS A 50 6.408 -18.338 -3.567 1.00 0.00 C ATOM 765 CG LYS A 50 5.560 -19.295 -4.424 1.00 0.00 C ATOM 766 CD LYS A 50 6.194 -20.688 -4.563 1.00 0.00 C ATOM 767 CE LYS A 50 7.526 -20.659 -5.328 1.00 0.00 C ATOM 768 NZ LYS A 50 8.117 -22.018 -5.452 1.00 0.00 N ATOM 0 H LYS A 50 7.619 -16.498 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 50 5.399 -16.563 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.375 -18.189 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.601 -18.799 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.570 -19.394 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.422 -18.863 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.358 -21.109 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.498 -21.350 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.367 -20.239 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.227 -20.002 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.015 -21.960 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.292 -22.408 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.458 -22.638 -5.965 1.00 0.00 H new ATOM 782 N ALA A 51 4.632 -17.257 -1.183 1.00 0.00 N ATOM 783 CA ALA A 51 3.531 -17.373 -0.223 1.00 0.00 C ATOM 784 C ALA A 51 2.663 -16.101 -0.151 1.00 0.00 C ATOM 785 O ALA A 51 1.441 -16.188 -0.033 1.00 0.00 O ATOM 786 CB ALA A 51 4.134 -17.713 1.147 1.00 0.00 C ATOM 0 H ALA A 51 5.553 -17.312 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 51 2.857 -18.164 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.335 -17.806 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.678 -18.655 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.817 -16.920 1.451 1.00 0.00 H new ATOM 792 N ASN A 52 3.272 -14.918 -0.281 1.00 0.00 N ATOM 793 CA ASN A 52 2.553 -13.643 -0.257 1.00 0.00 C ATOM 794 C ASN A 52 1.729 -13.445 -1.548 1.00 0.00 C ATOM 795 O ASN A 52 0.561 -13.058 -1.482 1.00 0.00 O ATOM 796 CB ASN A 52 3.577 -12.524 0.002 1.00 0.00 C ATOM 797 CG ASN A 52 2.965 -11.194 0.423 1.00 0.00 C ATOM 798 OD1 ASN A 52 1.789 -11.068 0.732 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.770 -10.157 0.499 1.00 0.00 N ATOM 0 H ASN A 52 4.279 -14.819 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 52 1.819 -13.625 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.268 -12.853 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.164 -12.369 -0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.412 -9.255 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.753 -10.254 0.243 1.00 0.00 H new ATOM 806 N LEU A 53 2.276 -13.829 -2.711 1.00 0.00 N ATOM 807 CA LEU A 53 1.531 -13.860 -3.977 1.00 0.00 C ATOM 808 C LEU A 53 0.368 -14.873 -3.946 1.00 0.00 C ATOM 809 O LEU A 53 -0.724 -14.576 -4.429 1.00 0.00 O ATOM 810 CB LEU A 53 2.511 -14.134 -5.134 1.00 0.00 C ATOM 811 CG LEU A 53 1.845 -14.226 -6.523 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.130 -12.934 -6.922 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.901 -14.523 -7.584 1.00 0.00 C ATOM 0 H LEU A 53 3.248 -14.127 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 53 1.065 -12.887 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.260 -13.342 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.038 -15.067 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 53 1.106 -15.025 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.680 -13.056 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.351 -12.709 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.848 -12.115 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.425 -14.587 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.643 -13.724 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.390 -15.470 -7.356 1.00 0.00 H new ATOM 825 N ASN A 54 0.563 -16.040 -3.323 1.00 0.00 N ATOM 826 CA ASN A 54 -0.474 -17.065 -3.159 1.00 0.00 C ATOM 827 C ASN A 54 -1.689 -16.541 -2.351 1.00 0.00 C ATOM 828 O ASN A 54 -2.838 -16.849 -2.670 1.00 0.00 O ATOM 829 CB ASN A 54 0.193 -18.297 -2.511 1.00 0.00 C ATOM 830 CG ASN A 54 -0.612 -19.585 -2.593 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.512 -19.760 -3.401 1.00 0.00 O ATOM 832 ND2 ASN A 54 -0.296 -20.553 -1.764 1.00 0.00 N ATOM 0 H ASN A 54 1.459 -16.303 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.889 -17.344 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.160 -18.460 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.388 -18.075 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.800 -21.439 -1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.453 -20.419 -1.085 1.00 0.00 H new ATOM 839 N VAL A 55 -1.454 -15.687 -1.346 1.00 0.00 N ATOM 840 CA VAL A 55 -2.514 -14.996 -0.580 1.00 0.00 C ATOM 841 C VAL A 55 -3.082 -13.789 -1.338 1.00 0.00 C ATOM 842 O VAL A 55 -4.281 -13.530 -1.264 1.00 0.00 O ATOM 843 CB VAL A 55 -2.003 -14.605 0.820 1.00 0.00 C ATOM 844 CG1 VAL A 55 -3.032 -13.822 1.646 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.633 -15.855 1.628 1.00 0.00 C ATOM 0 H VAL A 55 -0.512 -15.450 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.341 -15.695 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.136 -13.969 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.607 -13.579 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.293 -12.902 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.927 -14.429 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.274 -15.558 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.512 -16.491 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.850 -16.406 1.108 1.00 0.00 H new ATOM 855 N HIS A 56 -2.274 -13.080 -2.129 1.00 0.00 N ATOM 856 CA HIS A 56 -2.751 -11.983 -2.983 1.00 0.00 C ATOM 857 C HIS A 56 -3.746 -12.452 -4.061 1.00 0.00 C ATOM 858 O HIS A 56 -4.763 -11.798 -4.291 1.00 0.00 O ATOM 859 CB HIS A 56 -1.555 -11.263 -3.618 1.00 0.00 C ATOM 860 CG HIS A 56 -1.992 -10.235 -4.625 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.553 -9.015 -4.340 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.069 -10.413 -5.980 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.969 -8.466 -5.489 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.704 -9.287 -6.536 1.00 0.00 N ATOM 0 H HIS A 56 -1.270 -13.248 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.299 -11.288 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.966 -10.780 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.906 -11.993 -4.102 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.638 -8.598 -3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.705 -11.270 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.449 -7.502 -5.571 1.00 0.00 H new ATOM 872 N LEU A 57 -3.513 -13.606 -4.696 1.00 0.00 N ATOM 873 CA LEU A 57 -4.435 -14.174 -5.694 1.00 0.00 C ATOM 874 C LEU A 57 -5.830 -14.467 -5.113 1.00 0.00 C ATOM 875 O LEU A 57 -6.834 -14.287 -5.801 1.00 0.00 O ATOM 876 CB LEU A 57 -3.813 -15.451 -6.262 1.00 0.00 C ATOM 877 CG LEU A 57 -2.612 -15.208 -7.193 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.848 -16.516 -7.362 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.055 -14.721 -8.572 1.00 0.00 C ATOM 0 H LEU A 57 -2.682 -14.174 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.581 -13.436 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.495 -16.086 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.578 -16.001 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.984 -14.439 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.994 -16.356 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.497 -16.861 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.506 -17.268 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.179 -14.561 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.700 -15.470 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.603 -13.785 -8.468 1.00 0.00 H new ATOM 891 N ARG A 58 -5.905 -14.823 -3.823 1.00 0.00 N ATOM 892 CA ARG A 58 -7.169 -15.002 -3.073 1.00 0.00 C ATOM 893 C ARG A 58 -7.971 -13.702 -2.870 1.00 0.00 C ATOM 894 O ARG A 58 -9.129 -13.774 -2.459 1.00 0.00 O ATOM 895 CB ARG A 58 -6.885 -15.698 -1.727 1.00 0.00 C ATOM 896 CG ARG A 58 -6.410 -17.147 -1.899 1.00 0.00 C ATOM 897 CD ARG A 58 -5.815 -17.692 -0.590 1.00 0.00 C ATOM 898 NE ARG A 58 -5.689 -19.164 -0.611 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.856 -19.892 -1.335 1.00 0.00 C ATOM 900 NH1 ARG A 58 -3.995 -19.358 -2.148 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.876 -21.193 -1.257 1.00 0.00 N ATOM 0 H ARG A 58 -5.076 -14.999 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.808 -15.636 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.127 -15.134 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.789 -15.686 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.246 -17.773 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.662 -17.197 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.834 -17.246 -0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.446 -17.394 0.247 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.318 -19.679 0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.945 -18.344 -2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.368 -19.953 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.538 -21.656 -0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.230 -21.748 -1.819 1.00 0.00 H new ATOM 915 N LYS A 59 -7.403 -12.528 -3.191 1.00 0.00 N ATOM 916 CA LYS A 59 -8.100 -11.223 -3.217 1.00 0.00 C ATOM 917 C LYS A 59 -8.788 -10.929 -4.560 1.00 0.00 C ATOM 918 O LYS A 59 -9.676 -10.076 -4.614 1.00 0.00 O ATOM 919 CB LYS A 59 -7.132 -10.080 -2.847 1.00 0.00 C ATOM 920 CG LYS A 59 -6.389 -10.319 -1.521 1.00 0.00 C ATOM 921 CD LYS A 59 -5.521 -9.110 -1.141 1.00 0.00 C ATOM 922 CE LYS A 59 -4.707 -9.355 0.139 1.00 0.00 C ATOM 923 NZ LYS A 59 -5.562 -9.416 1.357 1.00 0.00 N ATOM 0 H LYS A 59 -6.419 -12.454 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.890 -11.284 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.402 -9.957 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.691 -9.147 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.110 -10.515 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.762 -11.206 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.842 -8.881 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.159 -8.237 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.154 -10.289 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.971 -8.559 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.965 -9.583 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.071 -8.516 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.248 -10.192 1.261 1.00 0.00 H new ATOM 937 N HIS A 60 -8.416 -11.630 -5.637 1.00 0.00 N ATOM 938 CA HIS A 60 -9.040 -11.522 -6.964 1.00 0.00 C ATOM 939 C HIS A 60 -10.333 -12.363 -7.050 1.00 0.00 C ATOM 940 O HIS A 60 -10.407 -13.372 -7.755 1.00 0.00 O ATOM 941 CB HIS A 60 -8.013 -11.850 -8.062 1.00 0.00 C ATOM 942 CG HIS A 60 -6.978 -10.769 -8.256 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.232 -9.514 -8.758 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.632 -10.846 -8.013 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.082 -8.833 -8.808 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.056 -9.602 -8.370 1.00 0.00 N ATOM 0 H HIS A 60 -7.653 -12.306 -5.611 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.356 -10.492 -7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.510 -12.784 -7.811 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.538 -12.013 -9.003 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.104 -11.702 -7.620 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.985 -7.813 -9.150 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.072 -9.339 -8.310 1.00 0.00 H new ATOM 1012 N PHE A 65 -16.452 -7.810 -14.636 1.00 0.00 N ATOM 1013 CA PHE A 65 -16.897 -7.160 -15.868 1.00 0.00 C ATOM 1014 C PHE A 65 -15.785 -7.312 -16.922 1.00 0.00 C ATOM 1015 O PHE A 65 -14.601 -7.292 -16.571 1.00 0.00 O ATOM 1016 CB PHE A 65 -17.229 -5.688 -15.575 1.00 0.00 C ATOM 1017 CG PHE A 65 -18.268 -5.484 -14.487 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -17.872 -5.411 -13.138 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -19.634 -5.396 -14.817 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -18.832 -5.242 -12.124 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -20.595 -5.231 -13.802 1.00 0.00 C ATOM 1022 CZ PHE A 65 -20.193 -5.150 -12.456 1.00 0.00 C ATOM 0 HA PHE A 65 -17.803 -7.623 -16.258 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -16.313 -5.172 -15.287 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -17.584 -5.219 -16.492 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -16.826 -5.485 -12.880 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -19.945 -5.455 -15.850 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.522 -5.183 -11.091 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.643 -5.166 -14.057 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.931 -5.017 -11.679 1.00 0.00 H new ATOM 1032 N ALA A 66 -16.145 -7.493 -18.195 1.00 0.00 N ATOM 1033 CA ALA A 66 -15.212 -7.871 -19.264 1.00 0.00 C ATOM 1034 C ALA A 66 -15.257 -6.930 -20.481 1.00 0.00 C ATOM 1035 O ALA A 66 -16.325 -6.456 -20.878 1.00 0.00 O ATOM 1036 CB ALA A 66 -15.502 -9.322 -19.670 1.00 0.00 C ATOM 0 H ALA A 66 -17.106 -7.380 -18.519 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.198 -7.780 -18.875 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.818 -9.621 -20.464 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.365 -9.975 -18.808 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.529 -9.402 -20.027 1.00 0.00 H new ATOM 1042 N CYS A 67 -14.091 -6.703 -21.090 1.00 0.00 N ATOM 1043 CA CYS A 67 -13.914 -5.871 -22.277 1.00 0.00 C ATOM 1044 C CYS A 67 -14.542 -6.500 -23.538 1.00 0.00 C ATOM 1045 O CYS A 67 -14.549 -7.722 -23.723 1.00 0.00 O ATOM 1046 CB CYS A 67 -12.415 -5.581 -22.403 1.00 0.00 C ATOM 1047 SG CYS A 67 -12.083 -4.333 -23.684 1.00 0.00 S ATOM 0 H CYS A 67 -13.216 -7.108 -20.757 1.00 0.00 H new ATOM 0 HA CYS A 67 -14.452 -4.929 -22.173 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -12.029 -5.232 -21.445 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.884 -6.502 -22.644 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.192 -3.491 -23.250 1.00 0.00 H new ATOM 1052 N ASP A 68 -15.072 -5.640 -24.409 1.00 0.00 N ATOM 1053 CA ASP A 68 -15.631 -6.005 -25.717 1.00 0.00 C ATOM 1054 C ASP A 68 -14.582 -5.929 -26.848 1.00 0.00 C ATOM 1055 O ASP A 68 -14.831 -6.388 -27.966 1.00 0.00 O ATOM 1056 CB ASP A 68 -16.842 -5.100 -25.998 1.00 0.00 C ATOM 1057 CG ASP A 68 -17.675 -5.578 -27.202 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -18.195 -6.721 -27.167 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -17.863 -4.797 -28.167 1.00 0.00 O ATOM 0 H ASP A 68 -15.127 -4.639 -24.220 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.951 -7.047 -25.688 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.477 -5.065 -25.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.495 -4.083 -26.182 1.00 0.00 H new ATOM 1064 N TYR A 69 -13.402 -5.367 -26.558 1.00 0.00 N ATOM 1065 CA TYR A 69 -12.356 -5.037 -27.535 1.00 0.00 C ATOM 1066 C TYR A 69 -11.031 -5.794 -27.304 1.00 0.00 C ATOM 1067 O TYR A 69 -10.223 -5.903 -28.232 1.00 0.00 O ATOM 1068 CB TYR A 69 -12.129 -3.517 -27.504 1.00 0.00 C ATOM 1069 CG TYR A 69 -13.364 -2.668 -27.738 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -13.803 -2.408 -29.050 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -14.067 -2.130 -26.640 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -14.945 -1.614 -29.267 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -15.211 -1.337 -26.853 1.00 0.00 C ATOM 1074 CZ TYR A 69 -15.653 -1.076 -28.170 1.00 0.00 C ATOM 1075 OH TYR A 69 -16.755 -0.306 -28.389 1.00 0.00 O ATOM 0 H TYR A 69 -13.140 -5.121 -25.604 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.702 -5.359 -28.517 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.704 -3.250 -26.536 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.386 -3.263 -28.260 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -13.263 -2.818 -29.891 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -13.727 -2.327 -25.634 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.280 -1.416 -30.274 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.750 -0.929 -26.011 1.00 0.00 H new ATOM 0 HH TYR A 69 -17.127 -0.015 -27.530 1.00 0.00 H new ATOM 1085 N CYS A 70 -10.804 -6.326 -26.095 1.00 0.00 N ATOM 1086 CA CYS A 70 -9.678 -7.202 -25.737 1.00 0.00 C ATOM 1087 C CYS A 70 -10.075 -8.248 -24.663 1.00 0.00 C ATOM 1088 O CYS A 70 -11.258 -8.452 -24.376 1.00 0.00 O ATOM 1089 CB CYS A 70 -8.465 -6.341 -25.336 1.00 0.00 C ATOM 1090 SG CYS A 70 -8.714 -5.522 -23.741 1.00 0.00 S ATOM 0 H CYS A 70 -11.426 -6.151 -25.306 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.391 -7.791 -26.608 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.575 -6.969 -25.286 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.283 -5.590 -26.105 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.937 -5.087 -23.663 1.00 0.00 H new ATOM 1095 N SER A 71 -9.086 -8.935 -24.084 1.00 0.00 N ATOM 1096 CA SER A 71 -9.249 -9.984 -23.060 1.00 0.00 C ATOM 1097 C SER A 71 -9.335 -9.467 -21.609 1.00 0.00 C ATOM 1098 O SER A 71 -9.446 -10.269 -20.676 1.00 0.00 O ATOM 1099 CB SER A 71 -8.118 -11.010 -23.208 1.00 0.00 C ATOM 1100 OG SER A 71 -6.848 -10.384 -23.082 1.00 0.00 O ATOM 0 H SER A 71 -8.108 -8.773 -24.322 1.00 0.00 H new ATOM 0 HA SER A 71 -10.219 -10.446 -23.243 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.223 -11.785 -22.449 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.191 -11.501 -24.178 1.00 0.00 H new ATOM 0 HG SER A 71 -6.141 -11.056 -23.178 1.00 0.00 H new ATOM 1106 N PHE A 72 -9.284 -8.147 -21.392 1.00 0.00 N ATOM 1107 CA PHE A 72 -9.260 -7.520 -20.062 1.00 0.00 C ATOM 1108 C PHE A 72 -10.523 -7.785 -19.218 1.00 0.00 C ATOM 1109 O PHE A 72 -11.646 -7.791 -19.733 1.00 0.00 O ATOM 1110 CB PHE A 72 -9.039 -6.013 -20.245 1.00 0.00 C ATOM 1111 CG PHE A 72 -9.017 -5.198 -18.966 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.845 -5.137 -18.188 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -10.166 -4.491 -18.561 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.823 -4.366 -17.012 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -10.138 -3.714 -17.390 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.967 -3.654 -16.614 1.00 0.00 C ATOM 0 H PHE A 72 -9.258 -7.468 -22.153 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.444 -7.974 -19.500 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.094 -5.862 -20.768 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.826 -5.623 -20.890 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.964 -5.682 -18.494 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.069 -4.546 -19.151 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.925 -4.321 -16.414 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.016 -3.163 -17.086 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.947 -3.061 -15.712 1.00 0.00 H new ATOM 1126 N THR A 73 -10.337 -7.934 -17.899 1.00 0.00 N ATOM 1127 CA THR A 73 -11.414 -7.995 -16.892 1.00 0.00 C ATOM 1128 C THR A 73 -11.090 -7.175 -15.638 1.00 0.00 C ATOM 1129 O THR A 73 -9.927 -7.045 -15.245 1.00 0.00 O ATOM 1130 CB THR A 73 -11.764 -9.433 -16.466 1.00 0.00 C ATOM 1131 OG1 THR A 73 -10.658 -10.113 -15.902 1.00 0.00 O ATOM 1132 CG2 THR A 73 -12.285 -10.302 -17.608 1.00 0.00 C ATOM 0 H THR A 73 -9.407 -8.018 -17.488 1.00 0.00 H new ATOM 0 HA THR A 73 -12.280 -7.561 -17.392 1.00 0.00 H new ATOM 0 HB THR A 73 -12.553 -9.296 -15.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.928 -11.020 -15.645 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.510 -11.300 -17.232 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.190 -9.857 -18.020 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.527 -10.371 -18.388 1.00 0.00 H new ATOM 1140 N CYS A 74 -12.126 -6.630 -14.995 1.00 0.00 N ATOM 1141 CA CYS A 74 -12.044 -5.849 -13.752 1.00 0.00 C ATOM 1142 C CYS A 74 -13.269 -6.072 -12.846 1.00 0.00 C ATOM 1143 O CYS A 74 -14.285 -6.612 -13.281 1.00 0.00 O ATOM 1144 CB CYS A 74 -11.832 -4.367 -14.111 1.00 0.00 C ATOM 1145 SG CYS A 74 -13.125 -3.764 -15.239 1.00 0.00 S ATOM 0 H CYS A 74 -13.083 -6.723 -15.337 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.191 -6.192 -13.166 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.833 -3.767 -13.201 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.854 -4.240 -14.575 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.057 -3.171 -14.553 1.00 0.00 H new ATOM 1151 N LEU A 75 -13.193 -5.646 -11.580 1.00 0.00 N ATOM 1152 CA LEU A 75 -14.243 -5.849 -10.561 1.00 0.00 C ATOM 1153 C LEU A 75 -15.254 -4.681 -10.453 1.00 0.00 C ATOM 1154 O LEU A 75 -16.038 -4.618 -9.506 1.00 0.00 O ATOM 1155 CB LEU A 75 -13.581 -6.206 -9.211 1.00 0.00 C ATOM 1156 CG LEU A 75 -12.768 -7.518 -9.214 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -12.039 -7.682 -7.879 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -13.646 -8.754 -9.423 1.00 0.00 C ATOM 0 H LEU A 75 -12.384 -5.139 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.860 -6.688 -10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.923 -5.388 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.358 -6.278 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.066 -7.445 -10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.467 -8.610 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.363 -6.841 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.767 -7.712 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.023 -9.648 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.381 -8.818 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.160 -8.677 -10.381 1.00 0.00 H new ATOM 1170 N SER A 76 -15.249 -3.753 -11.419 1.00 0.00 N ATOM 1171 CA SER A 76 -16.201 -2.636 -11.523 1.00 0.00 C ATOM 1172 C SER A 76 -16.484 -2.260 -12.981 1.00 0.00 C ATOM 1173 O SER A 76 -15.564 -2.184 -13.799 1.00 0.00 O ATOM 1174 CB SER A 76 -15.654 -1.419 -10.765 1.00 0.00 C ATOM 1175 OG SER A 76 -16.445 -0.267 -11.014 1.00 0.00 O ATOM 0 H SER A 76 -14.562 -3.758 -12.173 1.00 0.00 H new ATOM 0 HA SER A 76 -17.143 -2.957 -11.078 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.638 -1.629 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.624 -1.230 -11.068 1.00 0.00 H new ATOM 0 HG SER A 76 -16.078 0.495 -10.519 1.00 0.00 H new ATOM 1181 N LYS A 77 -17.747 -1.943 -13.297 1.00 0.00 N ATOM 1182 CA LYS A 77 -18.155 -1.375 -14.596 1.00 0.00 C ATOM 1183 C LYS A 77 -17.632 0.053 -14.818 1.00 0.00 C ATOM 1184 O LYS A 77 -17.414 0.454 -15.961 1.00 0.00 O ATOM 1185 CB LYS A 77 -19.683 -1.470 -14.765 1.00 0.00 C ATOM 1186 CG LYS A 77 -20.489 -0.664 -13.727 1.00 0.00 C ATOM 1187 CD LYS A 77 -22.005 -0.715 -13.973 1.00 0.00 C ATOM 1188 CE LYS A 77 -22.581 -2.128 -13.807 1.00 0.00 C ATOM 1189 NZ LYS A 77 -24.058 -2.138 -13.978 1.00 0.00 N ATOM 0 H LYS A 77 -18.526 -2.074 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.688 -1.976 -15.376 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.948 -1.122 -15.763 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -19.979 -2.517 -14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.275 -1.049 -12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.158 0.374 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.505 -0.039 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.219 -0.355 -14.979 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.125 -2.796 -14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.325 -2.513 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.415 -3.108 -13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.494 -1.519 -13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.300 -1.794 -14.929 1.00 0.00 H new ATOM 1203 N GLY A 78 -17.356 0.798 -13.744 1.00 0.00 N ATOM 1204 CA GLY A 78 -16.678 2.099 -13.807 1.00 0.00 C ATOM 1205 C GLY A 78 -15.213 1.956 -14.222 1.00 0.00 C ATOM 1206 O GLY A 78 -14.745 2.666 -15.112 1.00 0.00 O ATOM 0 H GLY A 78 -17.599 0.513 -12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.195 2.745 -14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.734 2.586 -12.833 1.00 0.00 H new ATOM 1210 N HIS A 79 -14.511 0.961 -13.667 1.00 0.00 N ATOM 1211 CA HIS A 79 -13.152 0.606 -14.094 1.00 0.00 C ATOM 1212 C HIS A 79 -13.130 0.110 -15.551 1.00 0.00 C ATOM 1213 O HIS A 79 -12.197 0.425 -16.295 1.00 0.00 O ATOM 1214 CB HIS A 79 -12.568 -0.429 -13.120 1.00 0.00 C ATOM 1215 CG HIS A 79 -11.073 -0.630 -13.236 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -10.302 -0.542 -14.376 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -10.220 -0.909 -12.204 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -9.020 -0.757 -14.040 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -8.918 -0.992 -12.718 1.00 0.00 N ATOM 0 H HIS A 79 -14.869 0.379 -12.909 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.524 1.497 -14.068 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -12.802 -0.122 -12.101 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.064 -1.385 -13.286 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -10.647 -0.347 -15.316 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.501 -1.043 -11.170 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.190 -0.743 -14.731 1.00 0.00 H new ATOM 1227 N LEU A 80 -14.175 -0.600 -15.996 1.00 0.00 N ATOM 1228 CA LEU A 80 -14.306 -1.037 -17.388 1.00 0.00 C ATOM 1229 C LEU A 80 -14.498 0.146 -18.348 1.00 0.00 C ATOM 1230 O LEU A 80 -13.845 0.198 -19.392 1.00 0.00 O ATOM 1231 CB LEU A 80 -15.455 -2.054 -17.514 1.00 0.00 C ATOM 1232 CG LEU A 80 -15.554 -2.678 -18.918 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -14.286 -3.444 -19.302 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -16.734 -3.643 -18.978 1.00 0.00 C ATOM 0 H LEU A 80 -14.952 -0.886 -15.400 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.375 -1.523 -17.678 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.314 -2.847 -16.779 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.397 -1.561 -17.274 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.689 -1.856 -19.621 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.404 -3.866 -20.300 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.434 -2.764 -19.294 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.116 -4.248 -18.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.797 -4.080 -19.975 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.594 -4.435 -18.243 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -17.656 -3.104 -18.759 1.00 0.00 H new ATOM 1246 N LYS A 81 -15.331 1.132 -17.987 1.00 0.00 N ATOM 1247 CA LYS A 81 -15.497 2.371 -18.763 1.00 0.00 C ATOM 1248 C LYS A 81 -14.168 3.119 -18.898 1.00 0.00 C ATOM 1249 O LYS A 81 -13.779 3.470 -20.009 1.00 0.00 O ATOM 1250 CB LYS A 81 -16.600 3.234 -18.124 1.00 0.00 C ATOM 1251 CG LYS A 81 -16.924 4.476 -18.970 1.00 0.00 C ATOM 1252 CD LYS A 81 -18.072 5.281 -18.348 1.00 0.00 C ATOM 1253 CE LYS A 81 -18.375 6.516 -19.207 1.00 0.00 C ATOM 1254 NZ LYS A 81 -19.488 7.320 -18.639 1.00 0.00 N ATOM 0 H LYS A 81 -15.910 1.094 -17.148 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.811 2.125 -19.777 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -17.502 2.635 -18.000 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.285 3.546 -17.128 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.038 5.105 -19.053 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.195 4.171 -19.981 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.962 4.657 -18.267 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.805 5.588 -17.337 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.481 7.135 -19.283 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.632 6.202 -20.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.664 8.146 -19.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.348 6.737 -18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.232 7.641 -17.683 1.00 0.00 H new ATOM 1268 N VAL A 82 -13.424 3.281 -17.800 1.00 0.00 N ATOM 1269 CA VAL A 82 -12.085 3.903 -17.801 1.00 0.00 C ATOM 1270 C VAL A 82 -11.100 3.129 -18.689 1.00 0.00 C ATOM 1271 O VAL A 82 -10.382 3.750 -19.471 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.562 4.053 -16.355 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.096 4.500 -16.283 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -12.390 5.099 -15.596 1.00 0.00 C ATOM 0 H VAL A 82 -13.732 2.983 -16.874 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.173 4.900 -18.232 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.650 3.062 -15.909 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.793 4.586 -15.240 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.466 3.765 -16.785 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.986 5.467 -16.773 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.011 5.195 -14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.315 6.061 -16.103 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.433 4.785 -15.566 1.00 0.00 H new ATOM 1284 N HIS A 83 -11.104 1.790 -18.647 1.00 0.00 N ATOM 1285 CA HIS A 83 -10.299 0.955 -19.548 1.00 0.00 C ATOM 1286 C HIS A 83 -10.648 1.200 -21.026 1.00 0.00 C ATOM 1287 O HIS A 83 -9.750 1.415 -21.840 1.00 0.00 O ATOM 1288 CB HIS A 83 -10.463 -0.529 -19.173 1.00 0.00 C ATOM 1289 CG HIS A 83 -9.874 -1.478 -20.190 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -8.558 -1.863 -20.280 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -10.541 -2.091 -21.217 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -8.425 -2.683 -21.333 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -9.615 -2.852 -21.961 1.00 0.00 N ATOM 0 H HIS A 83 -11.667 1.254 -17.986 1.00 0.00 H new ATOM 0 HA HIS A 83 -9.253 1.235 -19.425 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.990 -0.705 -18.207 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -11.524 -0.750 -19.054 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.808 -1.574 -19.652 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.598 -2.006 -21.423 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.498 -3.145 -21.639 1.00 0.00 H new ATOM 1301 N ILE A 84 -11.936 1.213 -21.388 1.00 0.00 N ATOM 1302 CA ILE A 84 -12.374 1.418 -22.779 1.00 0.00 C ATOM 1303 C ILE A 84 -11.996 2.821 -23.275 1.00 0.00 C ATOM 1304 O ILE A 84 -11.413 2.948 -24.352 1.00 0.00 O ATOM 1305 CB ILE A 84 -13.878 1.082 -22.933 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -14.109 -0.431 -22.689 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -14.391 1.458 -24.337 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -15.583 -0.830 -22.529 1.00 0.00 C ATOM 0 H ILE A 84 -12.704 1.082 -20.730 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.842 0.724 -23.429 1.00 0.00 H new ATOM 0 HB ILE A 84 -14.430 1.664 -22.195 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.682 -0.990 -23.522 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.565 -0.729 -21.793 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -15.450 1.211 -24.416 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -14.255 2.527 -24.500 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -13.832 0.902 -25.090 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -15.653 -1.905 -22.362 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -16.013 -0.302 -21.678 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -16.131 -0.567 -23.434 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.234 3.865 -22.480 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.879 5.249 -22.831 1.00 0.00 C ATOM 1322 C GLU A 85 -10.358 5.455 -22.990 1.00 0.00 C ATOM 1323 O GLU A 85 -9.917 6.139 -23.920 1.00 0.00 O ATOM 1324 CB GLU A 85 -12.458 6.213 -21.779 1.00 0.00 C ATOM 1325 CG GLU A 85 -13.998 6.301 -21.771 1.00 0.00 C ATOM 1326 CD GLU A 85 -14.601 6.821 -23.091 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -14.252 7.944 -23.526 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -15.443 6.110 -23.695 1.00 0.00 O ATOM 0 H GLU A 85 -12.681 3.778 -21.567 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.317 5.465 -23.805 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.120 5.899 -20.792 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.051 7.209 -21.954 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.407 5.313 -21.560 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.310 6.956 -20.957 1.00 0.00 H new ATOM 1335 N ARG A 86 -9.535 4.831 -22.134 1.00 0.00 N ATOM 1336 CA ARG A 86 -8.066 4.973 -22.166 1.00 0.00 C ATOM 1337 C ARG A 86 -7.380 4.114 -23.230 1.00 0.00 C ATOM 1338 O ARG A 86 -6.450 4.588 -23.882 1.00 0.00 O ATOM 1339 CB ARG A 86 -7.480 4.702 -20.779 1.00 0.00 C ATOM 1340 CG ARG A 86 -7.795 5.888 -19.855 1.00 0.00 C ATOM 1341 CD ARG A 86 -7.308 5.624 -18.437 1.00 0.00 C ATOM 1342 NE ARG A 86 -5.834 5.598 -18.334 1.00 0.00 N ATOM 1343 CZ ARG A 86 -5.127 5.257 -17.271 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -5.687 4.901 -16.148 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -3.826 5.266 -17.315 1.00 0.00 N ATOM 0 H ARG A 86 -9.868 4.211 -21.396 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.864 6.005 -22.454 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.899 3.784 -20.367 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.402 4.557 -20.849 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.322 6.790 -20.243 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.870 6.070 -19.846 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.701 6.394 -17.773 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.709 4.671 -18.091 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.310 5.870 -19.166 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.704 4.879 -16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.108 4.644 -15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.347 5.537 -18.173 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.286 5.002 -16.491 1.00 0.00 H new ATOM 1359 N VAL A 87 -7.823 2.866 -23.413 1.00 0.00 N ATOM 1360 CA VAL A 87 -7.128 1.856 -24.238 1.00 0.00 C ATOM 1361 C VAL A 87 -7.713 1.729 -25.647 1.00 0.00 C ATOM 1362 O VAL A 87 -6.951 1.543 -26.597 1.00 0.00 O ATOM 1363 CB VAL A 87 -7.093 0.487 -23.517 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -6.286 -0.563 -24.291 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -6.450 0.607 -22.126 1.00 0.00 C ATOM 0 H VAL A 87 -8.684 2.519 -22.990 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.104 2.207 -24.366 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.134 0.173 -23.443 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.293 -1.505 -23.742 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.732 -0.713 -25.274 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.258 -0.219 -24.408 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.440 -0.371 -21.644 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.428 0.972 -22.228 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.026 1.305 -21.518 1.00 0.00 H new ATOM 1375 N HIS A 88 -9.035 1.855 -25.813 1.00 0.00 N ATOM 1376 CA HIS A 88 -9.720 1.560 -27.083 1.00 0.00 C ATOM 1377 C HIS A 88 -10.263 2.813 -27.792 1.00 0.00 C ATOM 1378 O HIS A 88 -10.147 2.912 -29.016 1.00 0.00 O ATOM 1379 CB HIS A 88 -10.778 0.476 -26.842 1.00 0.00 C ATOM 1380 CG HIS A 88 -10.170 -0.800 -26.307 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -9.265 -1.609 -26.956 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -10.383 -1.350 -25.075 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -8.946 -2.630 -26.146 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -9.613 -2.528 -24.973 1.00 0.00 N ATOM 0 H HIS A 88 -9.663 2.165 -25.071 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.988 1.170 -27.791 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -11.522 0.846 -26.137 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.300 0.265 -27.775 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -11.031 -0.951 -24.309 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.255 -3.421 -26.395 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.568 -3.169 -24.181 1.00 0.00 H new