USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 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 139:sc= 2.07 USER MOD Set 1.2: A 70 CYS SG : rot -43:sc= 1.5 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.763 K(o=4.3,f=-2.2) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.00829 K(o=4.3,f=-2.8) USER MOD Set 2.1: A 74 CYS SG : rot 130:sc= -0.302 USER MOD Set 2.2: A 79 HIS : no HE2:sc= 0.248 K(o=-0.055,f=-2.7!) USER MOD Set 3.1: A 40 CYS SG : rot 122:sc= 2.29 USER MOD Set 3.2: A 43 CYS SG : rot -43:sc= 1.21 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.389 K(o=4.3,f=-1.8) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.411 K(o=4.3,f=-1.2) USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 47 SER OG : rot -120:sc= 0.482 USER MOD Set 4.3: A 52 ASN : amide:sc= 0.533 K(o=1,f=0.18) USER MOD Set 5.1: A 23 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.042) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 12 CYS SG : rot 155:sc= 1.7 USER MOD Set 6.2: A 15 CYS SG : rot -45:sc= 1.05 USER MOD Set 6.3: A 28 HIS : no HE2:sc= 0.299 K(o=3.1,f=-0.6) 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= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0501 X(o=-0.05,f=-0.05) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.749 (180deg=0.731) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.183 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+ -172:sc= 0.503 (180deg=0.444) 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= 0.142 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 4.725 12.971 -16.184 1.00 0.00 N ATOM 110 CA PHE A 10 5.572 11.839 -15.799 1.00 0.00 C ATOM 111 C PHE A 10 5.476 10.740 -16.870 1.00 0.00 C ATOM 112 O PHE A 10 4.373 10.390 -17.287 1.00 0.00 O ATOM 113 CB PHE A 10 5.114 11.333 -14.420 1.00 0.00 C ATOM 114 CG PHE A 10 5.355 12.298 -13.272 1.00 0.00 C ATOM 115 CD1 PHE A 10 4.377 13.248 -12.912 1.00 0.00 C ATOM 116 CD2 PHE A 10 6.563 12.241 -12.549 1.00 0.00 C ATOM 117 CE1 PHE A 10 4.595 14.114 -11.825 1.00 0.00 C ATOM 118 CE2 PHE A 10 6.790 13.121 -11.476 1.00 0.00 C ATOM 119 CZ PHE A 10 5.805 14.053 -11.111 1.00 0.00 C ATOM 0 HA PHE A 10 6.617 12.141 -15.729 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.049 11.107 -14.468 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.629 10.397 -14.203 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.456 13.311 -13.473 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.318 11.518 -12.820 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.834 14.825 -11.539 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.722 13.080 -10.932 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.977 14.723 -10.282 1.00 0.00 H new ATOM 129 N THR A 11 6.607 10.183 -17.320 1.00 0.00 N ATOM 130 CA THR A 11 6.663 9.290 -18.495 1.00 0.00 C ATOM 131 C THR A 11 7.400 7.979 -18.202 1.00 0.00 C ATOM 132 O THR A 11 8.481 7.987 -17.609 1.00 0.00 O ATOM 133 CB THR A 11 7.316 10.021 -19.683 1.00 0.00 C ATOM 134 OG1 THR A 11 6.649 11.244 -19.929 1.00 0.00 O ATOM 135 CG2 THR A 11 7.265 9.222 -20.985 1.00 0.00 C ATOM 0 H THR A 11 7.515 10.336 -16.881 1.00 0.00 H new ATOM 0 HA THR A 11 5.637 9.025 -18.750 1.00 0.00 H new ATOM 0 HB THR A 11 8.357 10.170 -19.398 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.073 11.702 -20.685 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.742 9.793 -21.781 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.790 8.276 -20.852 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.226 9.026 -21.251 1.00 0.00 H new ATOM 143 N CYS A 12 6.834 6.856 -18.656 1.00 0.00 N ATOM 144 CA CYS A 12 7.430 5.522 -18.585 1.00 0.00 C ATOM 145 C CYS A 12 8.576 5.368 -19.602 1.00 0.00 C ATOM 146 O CYS A 12 8.411 5.631 -20.797 1.00 0.00 O ATOM 147 CB CYS A 12 6.311 4.496 -18.800 1.00 0.00 C ATOM 148 SG CYS A 12 6.972 2.810 -18.660 1.00 0.00 S ATOM 0 H CYS A 12 5.915 6.853 -19.099 1.00 0.00 H new ATOM 0 HA CYS A 12 7.883 5.358 -17.607 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.522 4.648 -18.063 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.861 4.638 -19.783 1.00 0.00 H new ATOM 0 HG CYS A 12 6.020 1.999 -18.305 1.00 0.00 H new ATOM 153 N GLU A 13 9.740 4.912 -19.138 1.00 0.00 N ATOM 154 CA GLU A 13 10.919 4.680 -19.986 1.00 0.00 C ATOM 155 C GLU A 13 10.871 3.351 -20.766 1.00 0.00 C ATOM 156 O GLU A 13 11.709 3.122 -21.643 1.00 0.00 O ATOM 157 CB GLU A 13 12.205 4.825 -19.153 1.00 0.00 C ATOM 158 CG GLU A 13 12.398 3.724 -18.099 1.00 0.00 C ATOM 159 CD GLU A 13 13.690 3.964 -17.294 1.00 0.00 C ATOM 160 OE1 GLU A 13 14.788 3.575 -17.763 1.00 0.00 O ATOM 161 OE2 GLU A 13 13.622 4.555 -16.188 1.00 0.00 O ATOM 0 H GLU A 13 9.897 4.690 -18.155 1.00 0.00 H new ATOM 0 HA GLU A 13 10.915 5.450 -20.758 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.063 4.823 -19.826 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.194 5.794 -18.653 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.542 3.704 -17.425 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.443 2.750 -18.587 1.00 0.00 H new ATOM 168 N TYR A 14 9.895 2.480 -20.473 1.00 0.00 N ATOM 169 CA TYR A 14 9.792 1.129 -21.042 1.00 0.00 C ATOM 170 C TYR A 14 8.716 0.990 -22.137 1.00 0.00 C ATOM 171 O TYR A 14 8.893 0.188 -23.057 1.00 0.00 O ATOM 172 CB TYR A 14 9.524 0.131 -19.910 1.00 0.00 C ATOM 173 CG TYR A 14 10.593 0.055 -18.834 1.00 0.00 C ATOM 174 CD1 TYR A 14 11.715 -0.778 -19.017 1.00 0.00 C ATOM 175 CD2 TYR A 14 10.444 0.779 -17.634 1.00 0.00 C ATOM 176 CE1 TYR A 14 12.686 -0.887 -18.003 1.00 0.00 C ATOM 177 CE2 TYR A 14 11.413 0.671 -16.617 1.00 0.00 C ATOM 178 CZ TYR A 14 12.537 -0.165 -16.800 1.00 0.00 C ATOM 179 OH TYR A 14 13.478 -0.281 -15.822 1.00 0.00 O ATOM 0 H TYR A 14 9.141 2.699 -19.822 1.00 0.00 H new ATOM 0 HA TYR A 14 10.742 0.918 -21.533 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.577 0.391 -19.438 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.402 -0.861 -20.346 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.830 -1.333 -19.936 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.585 1.418 -17.494 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.546 -1.524 -18.146 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.297 1.227 -15.698 1.00 0.00 H new ATOM 0 HH TYR A 14 13.228 0.281 -15.059 1.00 0.00 H new ATOM 189 N CYS A 15 7.619 1.761 -22.056 1.00 0.00 N ATOM 190 CA CYS A 15 6.501 1.735 -23.019 1.00 0.00 C ATOM 191 C CYS A 15 6.010 3.131 -23.486 1.00 0.00 C ATOM 192 O CYS A 15 5.066 3.230 -24.276 1.00 0.00 O ATOM 193 CB CYS A 15 5.368 0.855 -22.469 1.00 0.00 C ATOM 194 SG CYS A 15 4.594 1.600 -21.016 1.00 0.00 S ATOM 0 H CYS A 15 7.480 2.435 -21.303 1.00 0.00 H new ATOM 0 HA CYS A 15 6.884 1.289 -23.937 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.617 0.701 -23.244 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.763 -0.127 -22.209 1.00 0.00 H new ATOM 0 HG CYS A 15 5.515 2.037 -20.209 1.00 0.00 H new ATOM 199 N ASN A 16 6.670 4.209 -23.042 1.00 0.00 N ATOM 200 CA ASN A 16 6.390 5.608 -23.397 1.00 0.00 C ATOM 201 C ASN A 16 4.979 6.129 -23.017 1.00 0.00 C ATOM 202 O ASN A 16 4.549 7.173 -23.515 1.00 0.00 O ATOM 203 CB ASN A 16 6.832 5.860 -24.856 1.00 0.00 C ATOM 204 CG ASN A 16 7.001 7.333 -25.203 1.00 0.00 C ATOM 205 OD1 ASN A 16 6.295 7.895 -26.031 1.00 0.00 O ATOM 206 ND2 ASN A 16 7.970 8.001 -24.614 1.00 0.00 N ATOM 0 H ASN A 16 7.453 4.126 -22.393 1.00 0.00 H new ATOM 0 HA ASN A 16 6.998 6.244 -22.754 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.776 5.344 -25.034 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.096 5.420 -25.529 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.129 8.981 -24.848 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.562 7.539 -23.923 1.00 0.00 H new ATOM 213 N LYS A 17 4.262 5.449 -22.107 1.00 0.00 N ATOM 214 CA LYS A 17 3.025 5.969 -21.495 1.00 0.00 C ATOM 215 C LYS A 17 3.300 7.228 -20.672 1.00 0.00 C ATOM 216 O LYS A 17 4.369 7.374 -20.080 1.00 0.00 O ATOM 217 CB LYS A 17 2.361 4.917 -20.597 1.00 0.00 C ATOM 218 CG LYS A 17 1.593 3.860 -21.397 1.00 0.00 C ATOM 219 CD LYS A 17 0.887 2.910 -20.418 1.00 0.00 C ATOM 220 CE LYS A 17 0.292 1.670 -21.094 1.00 0.00 C ATOM 221 NZ LYS A 17 -0.802 2.004 -22.043 1.00 0.00 N ATOM 0 H LYS A 17 4.523 4.521 -21.773 1.00 0.00 H new ATOM 0 HA LYS A 17 2.349 6.217 -22.313 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.124 4.427 -19.993 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.678 5.412 -19.907 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.863 4.338 -22.050 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.276 3.302 -22.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.598 2.593 -19.655 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.092 3.453 -19.907 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.080 1.138 -21.627 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.089 0.992 -20.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.168 1.130 -22.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.569 2.487 -21.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.435 2.629 -22.789 1.00 0.00 H new ATOM 235 N VAL A 18 2.303 8.107 -20.612 1.00 0.00 N ATOM 236 CA VAL A 18 2.368 9.420 -19.943 1.00 0.00 C ATOM 237 C VAL A 18 1.264 9.557 -18.887 1.00 0.00 C ATOM 238 O VAL A 18 0.119 9.160 -19.110 1.00 0.00 O ATOM 239 CB VAL A 18 2.324 10.573 -20.969 1.00 0.00 C ATOM 240 CG1 VAL A 18 2.519 11.932 -20.290 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.428 10.449 -22.028 1.00 0.00 C ATOM 0 H VAL A 18 1.394 7.927 -21.039 1.00 0.00 H new ATOM 0 HA VAL A 18 3.325 9.485 -19.424 1.00 0.00 H new ATOM 0 HB VAL A 18 1.342 10.506 -21.438 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.483 12.722 -21.040 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.727 12.090 -19.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.486 11.952 -19.788 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.357 11.282 -22.727 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.403 10.467 -21.541 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.310 9.510 -22.569 1.00 0.00 H new ATOM 251 N PHE A 19 1.621 10.134 -17.738 1.00 0.00 N ATOM 252 CA PHE A 19 0.815 10.256 -16.521 1.00 0.00 C ATOM 253 C PHE A 19 0.903 11.683 -15.941 1.00 0.00 C ATOM 254 O PHE A 19 1.923 12.360 -16.091 1.00 0.00 O ATOM 255 CB PHE A 19 1.310 9.214 -15.496 1.00 0.00 C ATOM 256 CG PHE A 19 1.314 7.777 -15.997 1.00 0.00 C ATOM 257 CD1 PHE A 19 0.151 6.986 -15.903 1.00 0.00 C ATOM 258 CD2 PHE A 19 2.473 7.235 -16.587 1.00 0.00 C ATOM 259 CE1 PHE A 19 0.146 5.672 -16.409 1.00 0.00 C ATOM 260 CE2 PHE A 19 2.467 5.922 -17.092 1.00 0.00 C ATOM 261 CZ PHE A 19 1.300 5.140 -17.013 1.00 0.00 C ATOM 0 H PHE A 19 2.542 10.557 -17.625 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.232 10.068 -16.757 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.322 9.480 -15.189 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.681 9.272 -14.607 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.739 7.389 -15.442 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.371 7.831 -16.652 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.747 5.070 -16.333 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.360 5.513 -17.541 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.290 4.137 -17.414 1.00 0.00 H new ATOM 271 N LYS A 20 -0.149 12.141 -15.248 1.00 0.00 N ATOM 272 CA LYS A 20 -0.211 13.477 -14.610 1.00 0.00 C ATOM 273 C LYS A 20 0.523 13.544 -13.261 1.00 0.00 C ATOM 274 O LYS A 20 1.013 14.605 -12.877 1.00 0.00 O ATOM 275 CB LYS A 20 -1.694 13.877 -14.482 1.00 0.00 C ATOM 276 CG LYS A 20 -1.926 15.267 -13.863 1.00 0.00 C ATOM 277 CD LYS A 20 -3.416 15.637 -13.934 1.00 0.00 C ATOM 278 CE LYS A 20 -3.789 16.828 -13.042 1.00 0.00 C ATOM 279 NZ LYS A 20 -3.214 18.120 -13.497 1.00 0.00 N ATOM 0 H LYS A 20 -0.997 11.591 -15.109 1.00 0.00 H new ATOM 0 HA LYS A 20 0.317 14.191 -15.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.151 13.852 -15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.208 13.132 -13.875 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.592 15.272 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.333 16.013 -14.392 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.677 15.870 -14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.012 14.773 -13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.875 16.917 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.451 16.628 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.507 18.878 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.176 18.054 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.556 18.334 -14.456 1.00 0.00 H new ATOM 293 N PHE A 21 0.618 12.415 -12.554 1.00 0.00 N ATOM 294 CA PHE A 21 1.154 12.325 -11.190 1.00 0.00 C ATOM 295 C PHE A 21 2.228 11.239 -11.048 1.00 0.00 C ATOM 296 O PHE A 21 2.183 10.202 -11.716 1.00 0.00 O ATOM 297 CB PHE A 21 0.007 12.062 -10.204 1.00 0.00 C ATOM 298 CG PHE A 21 -1.084 13.118 -10.175 1.00 0.00 C ATOM 299 CD1 PHE A 21 -0.865 14.340 -9.510 1.00 0.00 C ATOM 300 CD2 PHE A 21 -2.332 12.868 -10.781 1.00 0.00 C ATOM 301 CE1 PHE A 21 -1.892 15.299 -9.435 1.00 0.00 C ATOM 302 CE2 PHE A 21 -3.361 13.826 -10.702 1.00 0.00 C ATOM 303 CZ PHE A 21 -3.143 15.037 -10.021 1.00 0.00 C ATOM 0 H PHE A 21 0.317 11.513 -12.923 1.00 0.00 H new ATOM 0 HA PHE A 21 1.634 13.277 -10.964 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.447 11.102 -10.449 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.426 11.970 -9.202 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.094 14.542 -9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.499 11.940 -11.307 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.719 16.236 -8.927 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.317 13.631 -11.164 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.937 15.766 -9.948 1.00 0.00 H new ATOM 313 N LYS A 22 3.165 11.453 -10.111 1.00 0.00 N ATOM 314 CA LYS A 22 4.275 10.531 -9.821 1.00 0.00 C ATOM 315 C LYS A 22 3.786 9.165 -9.336 1.00 0.00 C ATOM 316 O LYS A 22 4.299 8.142 -9.782 1.00 0.00 O ATOM 317 CB LYS A 22 5.217 11.190 -8.798 1.00 0.00 C ATOM 318 CG LYS A 22 6.561 10.456 -8.690 1.00 0.00 C ATOM 319 CD LYS A 22 7.506 11.186 -7.727 1.00 0.00 C ATOM 320 CE LYS A 22 8.858 10.468 -7.666 1.00 0.00 C ATOM 321 NZ LYS A 22 9.794 11.139 -6.726 1.00 0.00 N ATOM 0 H LYS A 22 3.173 12.286 -9.523 1.00 0.00 H new ATOM 0 HA LYS A 22 4.819 10.340 -10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.393 12.227 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.735 11.207 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.396 9.436 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.022 10.386 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.647 12.216 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.063 11.227 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.708 9.434 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.300 10.439 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.698 10.625 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.957 12.118 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.383 11.144 -5.771 1.00 0.00 H new ATOM 335 N HIS A 23 2.764 9.133 -8.477 1.00 0.00 N ATOM 336 CA HIS A 23 2.213 7.886 -7.928 1.00 0.00 C ATOM 337 C HIS A 23 1.583 6.982 -9.003 1.00 0.00 C ATOM 338 O HIS A 23 1.713 5.759 -8.926 1.00 0.00 O ATOM 339 CB HIS A 23 1.236 8.202 -6.782 1.00 0.00 C ATOM 340 CG HIS A 23 0.088 9.125 -7.124 1.00 0.00 C ATOM 341 ND1 HIS A 23 -0.045 10.439 -6.725 1.00 0.00 N ATOM 342 CD2 HIS A 23 -1.057 8.798 -7.803 1.00 0.00 C ATOM 343 CE1 HIS A 23 -1.236 10.891 -7.153 1.00 0.00 C ATOM 344 NE2 HIS A 23 -1.890 9.926 -7.821 1.00 0.00 N ATOM 0 H HIS A 23 2.292 9.972 -8.140 1.00 0.00 H new ATOM 0 HA HIS A 23 3.043 7.307 -7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.823 7.263 -6.414 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.801 8.646 -5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.279 7.839 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.614 11.889 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.810 9.999 -8.255 1.00 0.00 H new ATOM 352 N SER A 24 0.978 7.564 -10.044 1.00 0.00 N ATOM 353 CA SER A 24 0.420 6.816 -11.181 1.00 0.00 C ATOM 354 C SER A 24 1.517 6.134 -12.004 1.00 0.00 C ATOM 355 O SER A 24 1.391 4.954 -12.335 1.00 0.00 O ATOM 356 CB SER A 24 -0.406 7.740 -12.081 1.00 0.00 C ATOM 357 OG SER A 24 -1.451 8.348 -11.340 1.00 0.00 O ATOM 0 H SER A 24 0.860 8.574 -10.124 1.00 0.00 H new ATOM 0 HA SER A 24 -0.227 6.040 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.237 8.508 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.824 7.171 -12.911 1.00 0.00 H new ATOM 0 HG SER A 24 -1.969 8.937 -11.928 1.00 0.00 H new ATOM 363 N LEU A 25 2.632 6.832 -12.263 1.00 0.00 N ATOM 364 CA LEU A 25 3.801 6.240 -12.918 1.00 0.00 C ATOM 365 C LEU A 25 4.482 5.188 -12.023 1.00 0.00 C ATOM 366 O LEU A 25 4.791 4.101 -12.498 1.00 0.00 O ATOM 367 CB LEU A 25 4.772 7.353 -13.362 1.00 0.00 C ATOM 368 CG LEU A 25 6.082 6.811 -13.975 1.00 0.00 C ATOM 369 CD1 LEU A 25 5.847 5.994 -15.245 1.00 0.00 C ATOM 370 CD2 LEU A 25 7.030 7.951 -14.330 1.00 0.00 C ATOM 0 H LEU A 25 2.746 7.817 -12.025 1.00 0.00 H new ATOM 0 HA LEU A 25 3.471 5.707 -13.810 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.274 7.991 -14.092 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.013 7.980 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 25 6.517 6.166 -13.212 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.802 5.639 -15.631 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.209 5.141 -15.016 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.362 6.619 -15.995 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.945 7.543 -14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.551 8.610 -15.054 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.273 8.516 -13.430 1.00 0.00 H new ATOM 382 N GLN A 26 4.674 5.460 -10.728 1.00 0.00 N ATOM 383 CA GLN A 26 5.303 4.516 -9.790 1.00 0.00 C ATOM 384 C GLN A 26 4.532 3.190 -9.684 1.00 0.00 C ATOM 385 O GLN A 26 5.147 2.122 -9.671 1.00 0.00 O ATOM 386 CB GLN A 26 5.430 5.168 -8.403 1.00 0.00 C ATOM 387 CG GLN A 26 6.564 6.203 -8.315 1.00 0.00 C ATOM 388 CD GLN A 26 7.952 5.568 -8.380 1.00 0.00 C ATOM 389 OE1 GLN A 26 8.621 5.572 -9.404 1.00 0.00 O ATOM 390 NE2 GLN A 26 8.439 4.993 -7.299 1.00 0.00 N ATOM 0 H GLN A 26 4.398 6.342 -10.297 1.00 0.00 H new ATOM 0 HA GLN A 26 6.293 4.279 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.487 5.652 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.600 4.390 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.459 6.920 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.468 6.762 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.893 4.982 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.362 4.559 -7.324 1.00 0.00 H new ATOM 399 N ALA A 27 3.196 3.236 -9.662 1.00 0.00 N ATOM 400 CA ALA A 27 2.360 2.037 -9.663 1.00 0.00 C ATOM 401 C ALA A 27 2.333 1.321 -11.027 1.00 0.00 C ATOM 402 O ALA A 27 2.269 0.091 -11.072 1.00 0.00 O ATOM 403 CB ALA A 27 0.958 2.432 -9.203 1.00 0.00 C ATOM 0 H ALA A 27 2.666 4.107 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 27 2.790 1.311 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.316 1.551 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.009 2.852 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.547 3.175 -9.886 1.00 0.00 H new ATOM 409 N HIS A 28 2.445 2.061 -12.136 1.00 0.00 N ATOM 410 CA HIS A 28 2.589 1.483 -13.474 1.00 0.00 C ATOM 411 C HIS A 28 3.936 0.756 -13.649 1.00 0.00 C ATOM 412 O HIS A 28 3.974 -0.360 -14.170 1.00 0.00 O ATOM 413 CB HIS A 28 2.405 2.588 -14.527 1.00 0.00 C ATOM 414 CG HIS A 28 2.754 2.114 -15.911 1.00 0.00 C ATOM 415 ND1 HIS A 28 2.041 1.206 -16.658 1.00 0.00 N ATOM 416 CD2 HIS A 28 3.913 2.378 -16.587 1.00 0.00 C ATOM 417 CE1 HIS A 28 2.752 0.916 -17.755 1.00 0.00 C ATOM 418 NE2 HIS A 28 3.917 1.610 -17.767 1.00 0.00 N ATOM 0 H HIS A 28 2.438 3.081 -12.129 1.00 0.00 H new ATOM 0 HA HIS A 28 1.816 0.727 -13.610 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.371 2.934 -14.512 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.030 3.442 -14.268 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.128 0.820 -16.418 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.690 3.058 -16.271 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.441 0.225 -18.524 1.00 0.00 H new ATOM 426 N LEU A 29 5.043 1.348 -13.181 1.00 0.00 N ATOM 427 CA LEU A 29 6.403 0.815 -13.341 1.00 0.00 C ATOM 428 C LEU A 29 6.602 -0.582 -12.728 1.00 0.00 C ATOM 429 O LEU A 29 7.475 -1.314 -13.198 1.00 0.00 O ATOM 430 CB LEU A 29 7.422 1.817 -12.762 1.00 0.00 C ATOM 431 CG LEU A 29 7.705 3.039 -13.659 1.00 0.00 C ATOM 432 CD1 LEU A 29 8.537 4.061 -12.885 1.00 0.00 C ATOM 433 CD2 LEU A 29 8.483 2.670 -14.923 1.00 0.00 C ATOM 0 H LEU A 29 5.018 2.230 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 29 6.567 0.688 -14.411 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.057 2.169 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.360 1.294 -12.577 1.00 0.00 H new ATOM 0 HG LEU A 29 6.737 3.446 -13.950 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.736 4.924 -13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.988 4.381 -11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.481 3.608 -12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.656 3.566 -15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.440 2.229 -14.645 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.908 1.951 -15.507 1.00 0.00 H new ATOM 445 N ARG A 30 5.761 -0.993 -11.763 1.00 0.00 N ATOM 446 CA ARG A 30 5.780 -2.336 -11.145 1.00 0.00 C ATOM 447 C ARG A 30 5.748 -3.491 -12.159 1.00 0.00 C ATOM 448 O ARG A 30 6.287 -4.564 -11.881 1.00 0.00 O ATOM 449 CB ARG A 30 4.565 -2.511 -10.222 1.00 0.00 C ATOM 450 CG ARG A 30 4.443 -1.514 -9.060 1.00 0.00 C ATOM 451 CD ARG A 30 3.124 -1.796 -8.329 1.00 0.00 C ATOM 452 NE ARG A 30 2.853 -0.822 -7.257 1.00 0.00 N ATOM 453 CZ ARG A 30 1.662 -0.487 -6.790 1.00 0.00 C ATOM 454 NH1 ARG A 30 0.553 -0.974 -7.277 1.00 0.00 N ATOM 455 NH2 ARG A 30 1.559 0.367 -5.811 1.00 0.00 N ATOM 0 H ARG A 30 5.032 -0.390 -11.381 1.00 0.00 H new ATOM 0 HA ARG A 30 6.723 -2.385 -10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.662 -2.441 -10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.593 -3.518 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.287 -1.619 -8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.460 -0.490 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.304 -1.779 -9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.155 -2.799 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 30 3.660 -0.363 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.584 -1.641 -8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.345 -0.688 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.398 0.779 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.639 0.624 -5.453 1.00 0.00 H new ATOM 469 N ILE A 31 5.130 -3.295 -13.330 1.00 0.00 N ATOM 470 CA ILE A 31 5.066 -4.325 -14.378 1.00 0.00 C ATOM 471 C ILE A 31 6.426 -4.520 -15.070 1.00 0.00 C ATOM 472 O ILE A 31 6.786 -5.651 -15.399 1.00 0.00 O ATOM 473 CB ILE A 31 3.914 -4.065 -15.375 1.00 0.00 C ATOM 474 CG1 ILE A 31 4.235 -2.982 -16.430 1.00 0.00 C ATOM 475 CG2 ILE A 31 2.598 -3.796 -14.617 1.00 0.00 C ATOM 476 CD1 ILE A 31 3.083 -2.719 -17.402 1.00 0.00 C ATOM 0 H ILE A 31 4.662 -2.423 -13.579 1.00 0.00 H new ATOM 0 HA ILE A 31 4.833 -5.272 -13.890 1.00 0.00 H new ATOM 0 HB ILE A 31 3.785 -4.976 -15.960 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.489 -2.053 -15.920 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.115 -3.286 -16.996 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.796 -3.615 -15.333 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.348 -4.662 -14.004 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.718 -2.921 -13.978 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.377 -1.948 -18.115 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.843 -3.637 -17.939 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.207 -2.384 -16.846 1.00 0.00 H new ATOM 570 N PRO A 37 10.167 -10.503 -7.974 1.00 0.00 N ATOM 571 CA PRO A 37 9.960 -11.538 -8.996 1.00 0.00 C ATOM 572 C PRO A 37 8.532 -12.085 -9.077 1.00 0.00 C ATOM 573 O PRO A 37 8.058 -12.416 -10.166 1.00 0.00 O ATOM 574 CB PRO A 37 10.935 -12.663 -8.632 1.00 0.00 C ATOM 575 CG PRO A 37 11.172 -12.492 -7.135 1.00 0.00 C ATOM 576 CD PRO A 37 11.103 -10.979 -6.962 1.00 0.00 C ATOM 0 HA PRO A 37 10.134 -11.105 -9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.513 -13.642 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.865 -12.579 -9.193 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.413 -13.003 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.139 -12.892 -6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.763 -10.716 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.085 -10.526 -7.094 1.00 0.00 H new ATOM 584 N TYR A 38 7.839 -12.193 -7.941 1.00 0.00 N ATOM 585 CA TYR A 38 6.513 -12.817 -7.851 1.00 0.00 C ATOM 586 C TYR A 38 5.403 -11.825 -8.220 1.00 0.00 C ATOM 587 O TYR A 38 4.698 -11.287 -7.364 1.00 0.00 O ATOM 588 CB TYR A 38 6.328 -13.501 -6.491 1.00 0.00 C ATOM 589 CG TYR A 38 7.309 -14.636 -6.273 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.184 -15.823 -7.020 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.374 -14.483 -5.370 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.124 -16.860 -6.860 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.311 -15.517 -5.196 1.00 0.00 C ATOM 594 CZ TYR A 38 9.191 -16.710 -5.944 1.00 0.00 C ATOM 595 OH TYR A 38 10.106 -17.704 -5.778 1.00 0.00 O ATOM 0 H TYR A 38 8.185 -11.846 -7.046 1.00 0.00 H new ATOM 0 HA TYR A 38 6.438 -13.611 -8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.449 -12.763 -5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.311 -13.885 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.367 -15.939 -7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.474 -13.567 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.030 -17.769 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.121 -15.400 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 38 10.769 -17.430 -5.111 1.00 0.00 H new ATOM 605 N LYS A 39 5.295 -11.567 -9.525 1.00 0.00 N ATOM 606 CA LYS A 39 4.313 -10.681 -10.168 1.00 0.00 C ATOM 607 C LYS A 39 2.937 -11.346 -10.277 1.00 0.00 C ATOM 608 O LYS A 39 2.838 -12.540 -10.565 1.00 0.00 O ATOM 609 CB LYS A 39 4.828 -10.274 -11.558 1.00 0.00 C ATOM 610 CG LYS A 39 6.038 -9.331 -11.474 1.00 0.00 C ATOM 611 CD LYS A 39 6.773 -9.258 -12.817 1.00 0.00 C ATOM 612 CE LYS A 39 7.998 -8.344 -12.706 1.00 0.00 C ATOM 613 NZ LYS A 39 7.653 -6.915 -12.900 1.00 0.00 N ATOM 0 H LYS A 39 5.926 -11.994 -10.204 1.00 0.00 H new ATOM 0 HA LYS A 39 4.192 -9.792 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.104 -11.168 -12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.026 -9.786 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.707 -8.334 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.722 -9.679 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.083 -10.257 -13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.100 -8.882 -13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.459 -8.475 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.739 -8.641 -13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.495 -6.329 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.317 -6.768 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.904 -6.645 -12.231 1.00 0.00 H new ATOM 627 N CYS A 40 1.880 -10.555 -10.101 1.00 0.00 N ATOM 628 CA CYS A 40 0.498 -10.970 -10.309 1.00 0.00 C ATOM 629 C CYS A 40 0.180 -11.112 -11.816 1.00 0.00 C ATOM 630 O CYS A 40 0.551 -10.235 -12.607 1.00 0.00 O ATOM 631 CB CYS A 40 -0.397 -9.955 -9.597 1.00 0.00 C ATOM 632 SG CYS A 40 -2.155 -10.367 -9.745 1.00 0.00 S ATOM 0 H CYS A 40 1.966 -9.584 -9.802 1.00 0.00 H new ATOM 0 HA CYS A 40 0.317 -11.958 -9.887 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.124 -9.910 -8.543 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.222 -8.963 -10.014 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.672 -10.496 -8.559 1.00 0.00 H new ATOM 637 N PRO A 41 -0.519 -12.182 -12.241 1.00 0.00 N ATOM 638 CA PRO A 41 -1.014 -12.328 -13.609 1.00 0.00 C ATOM 639 C PRO A 41 -2.228 -11.429 -13.913 1.00 0.00 C ATOM 640 O PRO A 41 -2.637 -11.345 -15.074 1.00 0.00 O ATOM 641 CB PRO A 41 -1.351 -13.818 -13.738 1.00 0.00 C ATOM 642 CG PRO A 41 -1.763 -14.220 -12.322 1.00 0.00 C ATOM 643 CD PRO A 41 -0.868 -13.349 -11.444 1.00 0.00 C ATOM 0 HA PRO A 41 -0.269 -12.007 -14.337 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.157 -13.986 -14.452 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.493 -14.394 -14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.820 -14.026 -12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.597 -15.282 -12.139 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.387 -13.055 -10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.026 -13.893 -11.141 1.00 0.00 H new ATOM 651 N GLN A 42 -2.821 -10.771 -12.904 1.00 0.00 N ATOM 652 CA GLN A 42 -4.089 -10.034 -13.019 1.00 0.00 C ATOM 653 C GLN A 42 -3.995 -8.522 -12.720 1.00 0.00 C ATOM 654 O GLN A 42 -4.844 -7.779 -13.223 1.00 0.00 O ATOM 655 CB GLN A 42 -5.145 -10.712 -12.127 1.00 0.00 C ATOM 656 CG GLN A 42 -5.542 -12.098 -12.656 1.00 0.00 C ATOM 657 CD GLN A 42 -6.572 -12.778 -11.759 1.00 0.00 C ATOM 658 OE1 GLN A 42 -7.778 -12.646 -11.934 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.147 -13.529 -10.763 1.00 0.00 N ATOM 0 H GLN A 42 -2.423 -10.736 -11.965 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.381 -10.081 -14.068 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.755 -10.809 -11.114 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.030 -10.079 -12.069 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.947 -11.999 -13.663 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.654 -12.726 -12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.146 -13.648 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.819 -13.991 -10.150 1.00 0.00 H new ATOM 668 N CYS A 43 -3.005 -8.041 -11.951 1.00 0.00 N ATOM 669 CA CYS A 43 -2.813 -6.608 -11.676 1.00 0.00 C ATOM 670 C CYS A 43 -1.321 -6.209 -11.563 1.00 0.00 C ATOM 671 O CYS A 43 -0.424 -6.998 -11.867 1.00 0.00 O ATOM 672 CB CYS A 43 -3.652 -6.235 -10.440 1.00 0.00 C ATOM 673 SG CYS A 43 -2.998 -7.002 -8.944 1.00 0.00 S ATOM 0 H CYS A 43 -2.312 -8.638 -11.500 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.168 -6.024 -12.525 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.664 -5.152 -10.320 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.684 -6.550 -10.591 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.678 -8.237 -9.194 1.00 0.00 H new ATOM 678 N SER A 44 -1.049 -4.962 -11.158 1.00 0.00 N ATOM 679 CA SER A 44 0.310 -4.405 -11.028 1.00 0.00 C ATOM 680 C SER A 44 1.095 -4.929 -9.815 1.00 0.00 C ATOM 681 O SER A 44 2.271 -4.600 -9.660 1.00 0.00 O ATOM 682 CB SER A 44 0.254 -2.872 -11.018 1.00 0.00 C ATOM 683 OG SER A 44 -0.372 -2.387 -9.838 1.00 0.00 O ATOM 0 H SER A 44 -1.779 -4.296 -10.906 1.00 0.00 H new ATOM 0 HA SER A 44 0.862 -4.751 -11.901 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.264 -2.468 -11.089 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.292 -2.520 -11.893 1.00 0.00 H new ATOM 0 HG SER A 44 -0.392 -1.407 -9.858 1.00 0.00 H new ATOM 689 N TYR A 45 0.480 -5.744 -8.952 1.00 0.00 N ATOM 690 CA TYR A 45 1.106 -6.346 -7.774 1.00 0.00 C ATOM 691 C TYR A 45 2.372 -7.156 -8.108 1.00 0.00 C ATOM 692 O TYR A 45 2.413 -7.919 -9.077 1.00 0.00 O ATOM 693 CB TYR A 45 0.066 -7.235 -7.077 1.00 0.00 C ATOM 694 CG TYR A 45 0.593 -8.043 -5.899 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.279 -9.260 -6.110 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.412 -7.567 -4.586 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.777 -9.994 -5.020 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.894 -8.309 -3.489 1.00 0.00 C ATOM 699 CZ TYR A 45 1.575 -9.526 -3.705 1.00 0.00 C ATOM 700 OH TYR A 45 2.034 -10.257 -2.656 1.00 0.00 O ATOM 0 H TYR A 45 -0.499 -6.010 -9.059 1.00 0.00 H new ATOM 0 HA TYR A 45 1.434 -5.542 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.753 -6.605 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.352 -7.923 -7.812 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.422 -9.628 -7.115 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.098 -6.630 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.314 -10.916 -5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.742 -7.946 -2.483 1.00 0.00 H new ATOM 0 HH TYR A 45 1.816 -9.799 -1.818 1.00 0.00 H new ATOM 710 N ALA A 46 3.385 -7.026 -7.253 1.00 0.00 N ATOM 711 CA ALA A 46 4.582 -7.867 -7.230 1.00 0.00 C ATOM 712 C ALA A 46 5.114 -8.045 -5.792 1.00 0.00 C ATOM 713 O ALA A 46 4.959 -7.146 -4.960 1.00 0.00 O ATOM 714 CB ALA A 46 5.639 -7.269 -8.165 1.00 0.00 C ATOM 0 H ALA A 46 3.396 -6.306 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 46 4.328 -8.864 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.533 -7.893 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.244 -7.225 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.893 -6.263 -7.831 1.00 0.00 H new ATOM 720 N SER A 47 5.776 -9.172 -5.506 1.00 0.00 N ATOM 721 CA SER A 47 6.422 -9.448 -4.211 1.00 0.00 C ATOM 722 C SER A 47 7.717 -10.269 -4.341 1.00 0.00 C ATOM 723 O SER A 47 8.065 -10.752 -5.420 1.00 0.00 O ATOM 724 CB SER A 47 5.419 -10.141 -3.276 1.00 0.00 C ATOM 725 OG SER A 47 5.875 -10.085 -1.930 1.00 0.00 O ATOM 0 H SER A 47 5.881 -9.933 -6.177 1.00 0.00 H new ATOM 0 HA SER A 47 6.722 -8.491 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.444 -9.660 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.287 -11.180 -3.579 1.00 0.00 H new ATOM 0 HG SER A 47 5.986 -10.995 -1.584 1.00 0.00 H new ATOM 731 N ALA A 48 8.436 -10.426 -3.227 1.00 0.00 N ATOM 732 CA ALA A 48 9.647 -11.238 -3.088 1.00 0.00 C ATOM 733 C ALA A 48 9.391 -12.637 -2.478 1.00 0.00 C ATOM 734 O ALA A 48 10.331 -13.419 -2.326 1.00 0.00 O ATOM 735 CB ALA A 48 10.671 -10.423 -2.289 1.00 0.00 C ATOM 0 H ALA A 48 8.176 -9.967 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 48 10.040 -11.458 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.585 -11.004 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.896 -9.499 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.261 -10.186 -1.307 1.00 0.00 H new ATOM 741 N ILE A 49 8.132 -12.969 -2.146 1.00 0.00 N ATOM 742 CA ILE A 49 7.724 -14.254 -1.549 1.00 0.00 C ATOM 743 C ILE A 49 6.538 -14.853 -2.328 1.00 0.00 C ATOM 744 O ILE A 49 5.513 -14.195 -2.521 1.00 0.00 O ATOM 745 CB ILE A 49 7.400 -14.076 -0.041 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.576 -13.418 0.724 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.043 -15.433 0.598 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.324 -13.188 2.220 1.00 0.00 C ATOM 0 H ILE A 49 7.347 -12.333 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 49 8.552 -14.959 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 49 6.540 -13.410 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.460 -14.045 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.804 -12.460 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.819 -15.290 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.172 -15.854 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.886 -16.116 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.202 -12.724 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.462 -12.533 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.129 -14.143 2.707 1.00 0.00 H new ATOM 760 N LYS A 50 6.647 -16.127 -2.734 1.00 0.00 N ATOM 761 CA LYS A 50 5.619 -16.844 -3.518 1.00 0.00 C ATOM 762 C LYS A 50 4.323 -17.079 -2.733 1.00 0.00 C ATOM 763 O LYS A 50 3.229 -16.923 -3.273 1.00 0.00 O ATOM 764 CB LYS A 50 6.219 -18.168 -4.025 1.00 0.00 C ATOM 765 CG LYS A 50 5.361 -18.810 -5.127 1.00 0.00 C ATOM 766 CD LYS A 50 6.012 -20.098 -5.651 1.00 0.00 C ATOM 767 CE LYS A 50 5.144 -20.718 -6.753 1.00 0.00 C ATOM 768 NZ LYS A 50 5.738 -21.977 -7.274 1.00 0.00 N ATOM 0 H LYS A 50 7.464 -16.701 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 50 5.335 -16.218 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.223 -17.987 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.317 -18.863 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.368 -19.033 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.230 -18.105 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.006 -19.879 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.139 -20.809 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.147 -20.920 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.027 -20.005 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.125 -22.369 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.679 -21.779 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.826 -22.666 -6.500 1.00 0.00 H new ATOM 782 N ALA A 51 4.437 -17.374 -1.436 1.00 0.00 N ATOM 783 CA ALA A 51 3.291 -17.495 -0.531 1.00 0.00 C ATOM 784 C ALA A 51 2.518 -16.169 -0.378 1.00 0.00 C ATOM 785 O ALA A 51 1.292 -16.180 -0.278 1.00 0.00 O ATOM 786 CB ALA A 51 3.795 -18.014 0.822 1.00 0.00 C ATOM 0 H ALA A 51 5.335 -17.537 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 51 2.578 -18.201 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.955 -18.111 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.267 -18.987 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.522 -17.313 1.233 1.00 0.00 H new ATOM 792 N ASN A 52 3.202 -15.019 -0.441 1.00 0.00 N ATOM 793 CA ASN A 52 2.551 -13.708 -0.398 1.00 0.00 C ATOM 794 C ASN A 52 1.748 -13.439 -1.686 1.00 0.00 C ATOM 795 O ASN A 52 0.607 -12.985 -1.609 1.00 0.00 O ATOM 796 CB ASN A 52 3.612 -12.631 -0.116 1.00 0.00 C ATOM 797 CG ASN A 52 3.020 -11.305 0.336 1.00 0.00 C ATOM 798 OD1 ASN A 52 1.963 -11.225 0.947 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.713 -10.219 0.094 1.00 0.00 N ATOM 0 H ASN A 52 4.218 -14.974 -0.523 1.00 0.00 H new ATOM 0 HA ASN A 52 1.822 -13.684 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.295 -12.996 0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.203 -12.468 -1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.370 -9.313 0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.595 -10.280 -0.415 1.00 0.00 H new ATOM 806 N LEU A 53 2.274 -13.833 -2.857 1.00 0.00 N ATOM 807 CA LEU A 53 1.521 -13.826 -4.116 1.00 0.00 C ATOM 808 C LEU A 53 0.291 -14.752 -4.061 1.00 0.00 C ATOM 809 O LEU A 53 -0.770 -14.372 -4.550 1.00 0.00 O ATOM 810 CB LEU A 53 2.469 -14.167 -5.285 1.00 0.00 C ATOM 811 CG LEU A 53 1.769 -14.313 -6.652 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.098 -13.020 -7.115 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.775 -14.732 -7.719 1.00 0.00 C ATOM 0 H LEU A 53 3.234 -14.165 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 53 1.122 -12.825 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.228 -13.388 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.989 -15.097 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 53 0.999 -15.073 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.622 -13.183 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.345 -12.720 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.848 -12.234 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.268 -14.831 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.557 -13.977 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.221 -15.688 -7.444 1.00 0.00 H new ATOM 825 N ASN A 54 0.372 -15.923 -3.419 1.00 0.00 N ATOM 826 CA ASN A 54 -0.801 -16.787 -3.211 1.00 0.00 C ATOM 827 C ASN A 54 -1.873 -16.109 -2.328 1.00 0.00 C ATOM 828 O ASN A 54 -3.052 -16.102 -2.677 1.00 0.00 O ATOM 829 CB ASN A 54 -0.333 -18.140 -2.652 1.00 0.00 C ATOM 830 CG ASN A 54 -1.494 -19.106 -2.472 1.00 0.00 C ATOM 831 OD1 ASN A 54 -2.021 -19.664 -3.424 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.944 -19.322 -1.256 1.00 0.00 N ATOM 0 H ASN A 54 1.239 -16.297 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.293 -16.962 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.403 -18.577 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.164 -17.986 -1.694 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.731 -19.954 -1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.506 -18.858 -0.460 1.00 0.00 H new ATOM 839 N VAL A 55 -1.465 -15.463 -1.231 1.00 0.00 N ATOM 840 CA VAL A 55 -2.349 -14.680 -0.336 1.00 0.00 C ATOM 841 C VAL A 55 -2.926 -13.432 -1.023 1.00 0.00 C ATOM 842 O VAL A 55 -4.004 -12.959 -0.657 1.00 0.00 O ATOM 843 CB VAL A 55 -1.591 -14.340 0.964 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.324 -13.374 1.901 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.342 -15.627 1.755 1.00 0.00 C ATOM 0 H VAL A 55 -0.491 -15.465 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.215 -15.292 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.673 -13.850 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.715 -13.194 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.501 -12.430 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.278 -13.809 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.806 -15.391 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.296 -16.094 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.746 -16.314 1.154 1.00 0.00 H new ATOM 855 N HIS A 56 -2.254 -12.927 -2.055 1.00 0.00 N ATOM 856 CA HIS A 56 -2.766 -11.884 -2.948 1.00 0.00 C ATOM 857 C HIS A 56 -3.765 -12.417 -3.994 1.00 0.00 C ATOM 858 O HIS A 56 -4.823 -11.819 -4.191 1.00 0.00 O ATOM 859 CB HIS A 56 -1.586 -11.157 -3.610 1.00 0.00 C ATOM 860 CG HIS A 56 -2.061 -10.171 -4.641 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.768 -9.024 -4.383 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.067 -10.363 -5.995 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.209 -8.534 -5.547 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.810 -9.318 -6.578 1.00 0.00 N ATOM 0 H HIS A 56 -1.314 -13.238 -2.302 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.334 -11.177 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.003 -10.638 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.924 -11.885 -4.078 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.930 -8.615 -3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.587 -11.173 -6.524 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.801 -7.637 -5.651 1.00 0.00 H new ATOM 872 N LEU A 57 -3.495 -13.556 -4.636 1.00 0.00 N ATOM 873 CA LEU A 57 -4.408 -14.186 -5.606 1.00 0.00 C ATOM 874 C LEU A 57 -5.757 -14.572 -4.976 1.00 0.00 C ATOM 875 O LEU A 57 -6.795 -14.457 -5.627 1.00 0.00 O ATOM 876 CB LEU A 57 -3.720 -15.417 -6.206 1.00 0.00 C ATOM 877 CG LEU A 57 -2.623 -15.085 -7.232 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.751 -16.319 -7.439 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.224 -14.679 -8.578 1.00 0.00 C ATOM 0 H LEU A 57 -2.628 -14.076 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.630 -13.461 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.282 -16.005 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.473 -16.044 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.036 -14.251 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.970 -16.095 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.295 -16.605 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.365 -17.140 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.422 -14.451 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.827 -15.498 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.852 -13.798 -8.445 1.00 0.00 H new ATOM 891 N ARG A 58 -5.761 -14.916 -3.681 1.00 0.00 N ATOM 892 CA ARG A 58 -6.978 -15.106 -2.862 1.00 0.00 C ATOM 893 C ARG A 58 -7.890 -13.862 -2.783 1.00 0.00 C ATOM 894 O ARG A 58 -9.054 -14.001 -2.408 1.00 0.00 O ATOM 895 CB ARG A 58 -6.581 -15.566 -1.446 1.00 0.00 C ATOM 896 CG ARG A 58 -6.084 -17.021 -1.415 1.00 0.00 C ATOM 897 CD ARG A 58 -5.545 -17.428 -0.035 1.00 0.00 C ATOM 898 NE ARG A 58 -6.621 -17.553 0.973 1.00 0.00 N ATOM 899 CZ ARG A 58 -6.953 -16.697 1.926 1.00 0.00 C ATOM 900 NH1 ARG A 58 -6.351 -15.552 2.085 1.00 0.00 N ATOM 901 NH2 ARG A 58 -7.918 -16.982 2.751 1.00 0.00 N ATOM 0 H ARG A 58 -4.901 -15.075 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.569 -15.872 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.800 -14.911 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.439 -15.465 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.901 -17.687 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.299 -17.150 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.017 -18.378 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.819 -16.688 0.302 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.177 -18.407 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.590 -15.285 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.641 -14.923 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.419 -17.866 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.173 -16.321 3.485 1.00 0.00 H new ATOM 915 N LYS A 59 -7.398 -12.670 -3.156 1.00 0.00 N ATOM 916 CA LYS A 59 -8.162 -11.405 -3.227 1.00 0.00 C ATOM 917 C LYS A 59 -8.779 -11.130 -4.605 1.00 0.00 C ATOM 918 O LYS A 59 -9.673 -10.289 -4.711 1.00 0.00 O ATOM 919 CB LYS A 59 -7.287 -10.218 -2.777 1.00 0.00 C ATOM 920 CG LYS A 59 -6.636 -10.454 -1.407 1.00 0.00 C ATOM 921 CD LYS A 59 -5.961 -9.190 -0.861 1.00 0.00 C ATOM 922 CE LYS A 59 -5.473 -9.396 0.582 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.332 -10.345 0.673 1.00 0.00 N ATOM 0 H LYS A 59 -6.422 -12.552 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.001 -11.521 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.509 -10.042 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.898 -9.316 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.393 -10.793 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.897 -11.251 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.118 -8.922 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.663 -8.357 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.175 -8.435 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.298 -9.767 1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.131 -10.552 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.574 -11.227 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.491 -9.921 0.232 1.00 0.00 H new ATOM 937 N HIS A 60 -8.361 -11.846 -5.656 1.00 0.00 N ATOM 938 CA HIS A 60 -8.954 -11.778 -7.003 1.00 0.00 C ATOM 939 C HIS A 60 -10.256 -12.606 -7.100 1.00 0.00 C ATOM 940 O HIS A 60 -10.397 -13.521 -7.913 1.00 0.00 O ATOM 941 CB HIS A 60 -7.898 -12.115 -8.073 1.00 0.00 C ATOM 942 CG HIS A 60 -6.945 -10.974 -8.337 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.263 -9.816 -9.005 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.625 -10.891 -7.985 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.174 -9.037 -9.054 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.127 -9.651 -8.452 1.00 0.00 N ATOM 0 H HIS A 60 -7.584 -12.504 -5.595 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.268 -10.754 -7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.331 -12.989 -7.754 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.402 -12.383 -9.002 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.063 -11.639 -7.446 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.136 -8.058 -9.509 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.177 -9.294 -8.355 1.00 0.00 H new ATOM 1012 N PHE A 65 -20.595 -15.357 -9.884 1.00 0.00 N ATOM 1013 CA PHE A 65 -21.883 -15.648 -10.515 1.00 0.00 C ATOM 1014 C PHE A 65 -22.811 -16.289 -9.474 1.00 0.00 C ATOM 1015 O PHE A 65 -22.399 -17.216 -8.772 1.00 0.00 O ATOM 1016 CB PHE A 65 -21.639 -16.522 -11.757 1.00 0.00 C ATOM 1017 CG PHE A 65 -20.710 -15.868 -12.765 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -19.315 -16.046 -12.668 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -21.236 -15.016 -13.755 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -18.452 -15.366 -13.547 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -20.373 -14.349 -14.643 1.00 0.00 C ATOM 1022 CZ PHE A 65 -18.982 -14.524 -14.539 1.00 0.00 C ATOM 0 HA PHE A 65 -22.382 -14.743 -10.862 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -21.215 -17.477 -11.446 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.594 -16.738 -12.237 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -18.907 -16.706 -11.917 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.304 -14.874 -13.833 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -17.383 -15.491 -13.459 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.780 -13.701 -15.406 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.321 -14.011 -15.222 1.00 0.00 H new ATOM 1032 N ALA A 66 -24.043 -15.786 -9.347 1.00 0.00 N ATOM 1033 CA ALA A 66 -24.968 -16.124 -8.260 1.00 0.00 C ATOM 1034 C ALA A 66 -26.218 -16.893 -8.723 1.00 0.00 C ATOM 1035 O ALA A 66 -26.809 -16.581 -9.761 1.00 0.00 O ATOM 1036 CB ALA A 66 -25.350 -14.828 -7.533 1.00 0.00 C ATOM 0 H ALA A 66 -24.434 -15.118 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 66 -24.456 -16.809 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -26.039 -15.057 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.453 -14.360 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -25.831 -14.146 -8.234 1.00 0.00 H new ATOM 1042 N CYS A 67 -26.645 -17.863 -7.909 1.00 0.00 N ATOM 1043 CA CYS A 67 -27.856 -18.651 -8.107 1.00 0.00 C ATOM 1044 C CYS A 67 -29.135 -17.809 -7.925 1.00 0.00 C ATOM 1045 O CYS A 67 -29.209 -16.914 -7.077 1.00 0.00 O ATOM 1046 CB CYS A 67 -27.766 -19.852 -7.159 1.00 0.00 C ATOM 1047 SG CYS A 67 -29.071 -21.072 -7.498 1.00 0.00 S ATOM 0 H CYS A 67 -26.136 -18.127 -7.066 1.00 0.00 H new ATOM 0 HA CYS A 67 -27.926 -19.008 -9.135 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -26.789 -20.325 -7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -27.847 -19.509 -6.128 1.00 0.00 H new ATOM 0 HG CYS A 67 -28.575 -22.271 -7.419 1.00 0.00 H new ATOM 1052 N ASP A 68 -30.149 -18.108 -8.737 1.00 0.00 N ATOM 1053 CA ASP A 68 -31.486 -17.503 -8.665 1.00 0.00 C ATOM 1054 C ASP A 68 -32.443 -18.295 -7.744 1.00 0.00 C ATOM 1055 O ASP A 68 -33.547 -17.836 -7.442 1.00 0.00 O ATOM 1056 CB ASP A 68 -32.038 -17.366 -10.094 1.00 0.00 C ATOM 1057 CG ASP A 68 -33.303 -16.489 -10.163 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -33.233 -15.295 -9.782 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -34.356 -16.969 -10.650 1.00 0.00 O ATOM 0 H ASP A 68 -30.064 -18.796 -9.485 1.00 0.00 H new ATOM 0 HA ASP A 68 -31.406 -16.515 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -31.269 -16.938 -10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -32.266 -18.357 -10.487 1.00 0.00 H new ATOM 1064 N TYR A 69 -32.018 -19.480 -7.287 1.00 0.00 N ATOM 1065 CA TYR A 69 -32.849 -20.464 -6.582 1.00 0.00 C ATOM 1066 C TYR A 69 -32.381 -20.741 -5.136 1.00 0.00 C ATOM 1067 O TYR A 69 -33.183 -21.192 -4.314 1.00 0.00 O ATOM 1068 CB TYR A 69 -32.863 -21.762 -7.400 1.00 0.00 C ATOM 1069 CG TYR A 69 -33.300 -21.614 -8.845 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -34.665 -21.704 -9.181 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -32.340 -21.381 -9.851 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -35.071 -21.551 -10.520 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -32.745 -21.215 -11.190 1.00 0.00 C ATOM 1074 CZ TYR A 69 -34.113 -21.300 -11.527 1.00 0.00 C ATOM 1075 OH TYR A 69 -34.512 -21.141 -12.820 1.00 0.00 O ATOM 0 H TYR A 69 -31.053 -19.790 -7.402 1.00 0.00 H new ATOM 0 HA TYR A 69 -33.853 -20.049 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -31.862 -22.193 -7.383 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -33.526 -22.474 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -35.400 -21.890 -8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -31.292 -21.330 -9.595 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -36.117 -21.626 -10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.010 -21.023 -11.958 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.729 -20.974 -13.386 1.00 0.00 H new ATOM 1085 N CYS A 70 -31.107 -20.468 -4.818 1.00 0.00 N ATOM 1086 CA CYS A 70 -30.516 -20.554 -3.475 1.00 0.00 C ATOM 1087 C CYS A 70 -29.427 -19.475 -3.243 1.00 0.00 C ATOM 1088 O CYS A 70 -29.293 -18.524 -4.019 1.00 0.00 O ATOM 1089 CB CYS A 70 -30.015 -21.988 -3.226 1.00 0.00 C ATOM 1090 SG CYS A 70 -28.539 -22.363 -4.205 1.00 0.00 S ATOM 0 H CYS A 70 -30.431 -20.168 -5.521 1.00 0.00 H new ATOM 0 HA CYS A 70 -31.285 -20.336 -2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -29.791 -22.116 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.805 -22.697 -3.473 1.00 0.00 H new ATOM 0 HG CYS A 70 -28.693 -21.910 -5.414 1.00 0.00 H new ATOM 1095 N SER A 71 -28.658 -19.609 -2.159 1.00 0.00 N ATOM 1096 CA SER A 71 -27.574 -18.697 -1.753 1.00 0.00 C ATOM 1097 C SER A 71 -26.210 -18.973 -2.418 1.00 0.00 C ATOM 1098 O SER A 71 -25.234 -18.272 -2.130 1.00 0.00 O ATOM 1099 CB SER A 71 -27.447 -18.719 -0.223 1.00 0.00 C ATOM 1100 OG SER A 71 -27.191 -20.037 0.246 1.00 0.00 O ATOM 0 H SER A 71 -28.775 -20.387 -1.510 1.00 0.00 H new ATOM 0 HA SER A 71 -27.857 -17.706 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 71 -26.641 -18.055 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 71 -28.364 -18.340 0.228 1.00 0.00 H new ATOM 0 HG SER A 71 -27.112 -20.027 1.223 1.00 0.00 H new ATOM 1106 N PHE A 72 -26.111 -19.972 -3.304 1.00 0.00 N ATOM 1107 CA PHE A 72 -24.858 -20.380 -3.956 1.00 0.00 C ATOM 1108 C PHE A 72 -24.240 -19.278 -4.840 1.00 0.00 C ATOM 1109 O PHE A 72 -24.935 -18.607 -5.609 1.00 0.00 O ATOM 1110 CB PHE A 72 -25.123 -21.650 -4.778 1.00 0.00 C ATOM 1111 CG PHE A 72 -23.943 -22.189 -5.566 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -23.012 -23.048 -4.952 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -23.794 -21.859 -6.927 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -21.944 -23.581 -5.698 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -22.728 -22.394 -7.674 1.00 0.00 C ATOM 1116 CZ PHE A 72 -21.804 -23.257 -7.059 1.00 0.00 C ATOM 0 H PHE A 72 -26.914 -20.530 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 72 -24.124 -20.574 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -25.470 -22.431 -4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -25.937 -21.446 -5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -23.117 -23.298 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -24.501 -21.193 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -21.231 -24.240 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -22.620 -22.142 -8.719 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.987 -23.671 -7.632 1.00 0.00 H new ATOM 1126 N THR A 73 -22.910 -19.139 -4.770 1.00 0.00 N ATOM 1127 CA THR A 73 -22.099 -18.262 -5.638 1.00 0.00 C ATOM 1128 C THR A 73 -20.790 -18.947 -6.047 1.00 0.00 C ATOM 1129 O THR A 73 -20.167 -19.640 -5.237 1.00 0.00 O ATOM 1130 CB THR A 73 -21.781 -16.906 -4.977 1.00 0.00 C ATOM 1131 OG1 THR A 73 -21.125 -17.070 -3.738 1.00 0.00 O ATOM 1132 CG2 THR A 73 -23.009 -16.042 -4.707 1.00 0.00 C ATOM 0 H THR A 73 -22.347 -19.648 -4.088 1.00 0.00 H new ATOM 0 HA THR A 73 -22.703 -18.071 -6.525 1.00 0.00 H new ATOM 0 HB THR A 73 -21.144 -16.406 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.937 -16.191 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 73 -22.700 -15.106 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 73 -23.518 -15.829 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 73 -23.688 -16.573 -4.039 1.00 0.00 H new ATOM 1140 N CYS A 74 -20.336 -18.739 -7.290 1.00 0.00 N ATOM 1141 CA CYS A 74 -19.139 -19.386 -7.851 1.00 0.00 C ATOM 1142 C CYS A 74 -18.307 -18.444 -8.742 1.00 0.00 C ATOM 1143 O CYS A 74 -18.817 -17.456 -9.267 1.00 0.00 O ATOM 1144 CB CYS A 74 -19.594 -20.643 -8.610 1.00 0.00 C ATOM 1145 SG CYS A 74 -18.177 -21.721 -8.969 1.00 0.00 S ATOM 0 H CYS A 74 -20.796 -18.107 -7.945 1.00 0.00 H new ATOM 0 HA CYS A 74 -18.468 -19.661 -7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -20.330 -21.186 -8.017 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -20.084 -20.355 -9.540 1.00 0.00 H new ATOM 0 HG CYS A 74 -18.450 -22.935 -8.594 1.00 0.00 H new ATOM 1151 N LEU A 75 -17.024 -18.763 -8.945 1.00 0.00 N ATOM 1152 CA LEU A 75 -16.098 -18.021 -9.816 1.00 0.00 C ATOM 1153 C LEU A 75 -16.356 -18.260 -11.322 1.00 0.00 C ATOM 1154 O LEU A 75 -15.813 -17.534 -12.156 1.00 0.00 O ATOM 1155 CB LEU A 75 -14.641 -18.400 -9.451 1.00 0.00 C ATOM 1156 CG LEU A 75 -14.004 -17.708 -8.228 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -13.850 -16.200 -8.430 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -14.771 -17.936 -6.926 1.00 0.00 C ATOM 0 H LEU A 75 -16.586 -19.567 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.268 -16.958 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.607 -19.476 -9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.014 -18.193 -10.318 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.023 -18.176 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.397 -15.758 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.213 -16.012 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.830 -15.753 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.265 -17.420 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.784 -17.547 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.812 -19.004 -6.710 1.00 0.00 H new ATOM 1170 N SER A 76 -17.177 -19.258 -11.678 1.00 0.00 N ATOM 1171 CA SER A 76 -17.498 -19.637 -13.062 1.00 0.00 C ATOM 1172 C SER A 76 -19.004 -19.650 -13.329 1.00 0.00 C ATOM 1173 O SER A 76 -19.783 -20.272 -12.598 1.00 0.00 O ATOM 1174 CB SER A 76 -16.876 -21.002 -13.384 1.00 0.00 C ATOM 1175 OG SER A 76 -17.351 -21.494 -14.629 1.00 0.00 O ATOM 0 H SER A 76 -17.651 -19.842 -10.989 1.00 0.00 H new ATOM 0 HA SER A 76 -17.071 -18.880 -13.720 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.790 -20.913 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 -17.116 -21.712 -12.592 1.00 0.00 H new ATOM 0 HG SER A 76 -16.940 -22.364 -14.815 1.00 0.00 H new ATOM 1181 N LYS A 77 -19.409 -19.015 -14.437 1.00 0.00 N ATOM 1182 CA LYS A 77 -20.783 -19.038 -14.961 1.00 0.00 C ATOM 1183 C LYS A 77 -21.170 -20.422 -15.503 1.00 0.00 C ATOM 1184 O LYS A 77 -22.324 -20.830 -15.383 1.00 0.00 O ATOM 1185 CB LYS A 77 -20.907 -17.942 -16.036 1.00 0.00 C ATOM 1186 CG LYS A 77 -22.368 -17.588 -16.342 1.00 0.00 C ATOM 1187 CD LYS A 77 -22.453 -16.479 -17.398 1.00 0.00 C ATOM 1188 CE LYS A 77 -23.919 -16.131 -17.685 1.00 0.00 C ATOM 1189 NZ LYS A 77 -24.037 -15.063 -18.713 1.00 0.00 N ATOM 0 H LYS A 77 -18.775 -18.457 -15.009 1.00 0.00 H new ATOM 0 HA LYS A 77 -21.484 -18.835 -14.152 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -20.381 -17.048 -15.702 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.417 -18.276 -16.951 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.894 -18.474 -16.696 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.867 -17.265 -15.428 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.923 -15.593 -17.049 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.962 -16.803 -18.316 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.446 -17.023 -18.024 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.403 -15.806 -16.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.042 -14.853 -18.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.555 -14.204 -18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.597 -15.384 -19.599 1.00 0.00 H new ATOM 1203 N GLY A 78 -20.200 -21.181 -16.023 1.00 0.00 N ATOM 1204 CA GLY A 78 -20.387 -22.577 -16.439 1.00 0.00 C ATOM 1205 C GLY A 78 -20.648 -23.504 -15.250 1.00 0.00 C ATOM 1206 O GLY A 78 -21.587 -24.302 -15.277 1.00 0.00 O ATOM 0 H GLY A 78 -19.250 -20.840 -16.169 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.223 -22.638 -17.136 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -19.501 -22.917 -16.975 1.00 0.00 H new ATOM 1210 N HIS A 79 -19.897 -23.340 -14.156 1.00 0.00 N ATOM 1211 CA HIS A 79 -20.137 -24.077 -12.908 1.00 0.00 C ATOM 1212 C HIS A 79 -21.499 -23.711 -12.289 1.00 0.00 C ATOM 1213 O HIS A 79 -22.189 -24.585 -11.757 1.00 0.00 O ATOM 1214 CB HIS A 79 -18.977 -23.821 -11.938 1.00 0.00 C ATOM 1215 CG HIS A 79 -18.931 -24.748 -10.744 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -19.999 -25.290 -10.059 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -17.796 -25.210 -10.132 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -19.523 -26.057 -9.066 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -18.177 -26.040 -9.068 1.00 0.00 N ATOM 0 H HIS A 79 -19.108 -22.695 -14.109 1.00 0.00 H new ATOM 0 HA HIS A 79 -20.179 -25.144 -13.126 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.038 -23.910 -12.485 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -19.042 -22.793 -11.580 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -20.984 -25.134 -10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.782 -24.975 -10.420 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.132 -26.609 -8.366 1.00 0.00 H new ATOM 1227 N LEU A 80 -21.934 -22.450 -12.400 1.00 0.00 N ATOM 1228 CA LEU A 80 -23.278 -22.029 -11.989 1.00 0.00 C ATOM 1229 C LEU A 80 -24.373 -22.687 -12.847 1.00 0.00 C ATOM 1230 O LEU A 80 -25.361 -23.179 -12.302 1.00 0.00 O ATOM 1231 CB LEU A 80 -23.376 -20.494 -12.023 1.00 0.00 C ATOM 1232 CG LEU A 80 -24.777 -19.975 -11.649 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -25.130 -20.293 -10.196 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -24.855 -18.468 -11.850 1.00 0.00 C ATOM 0 H LEU A 80 -21.364 -21.693 -12.777 1.00 0.00 H new ATOM 0 HA LEU A 80 -23.446 -22.366 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -22.642 -20.073 -11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -23.117 -20.140 -13.021 1.00 0.00 H new ATOM 0 HG LEU A 80 -25.489 -20.480 -12.302 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.126 -19.911 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -25.113 -21.372 -10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -24.403 -19.823 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.851 -18.116 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -24.114 -17.978 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -24.655 -18.229 -12.895 1.00 0.00 H new ATOM 1246 N LYS A 81 -24.198 -22.749 -14.173 1.00 0.00 N ATOM 1247 CA LYS A 81 -25.144 -23.418 -15.082 1.00 0.00 C ATOM 1248 C LYS A 81 -25.308 -24.901 -14.724 1.00 0.00 C ATOM 1249 O LYS A 81 -26.434 -25.389 -14.639 1.00 0.00 O ATOM 1250 CB LYS A 81 -24.671 -23.212 -16.534 1.00 0.00 C ATOM 1251 CG LYS A 81 -25.690 -23.632 -17.603 1.00 0.00 C ATOM 1252 CD LYS A 81 -26.936 -22.728 -17.634 1.00 0.00 C ATOM 1253 CE LYS A 81 -27.801 -22.980 -18.876 1.00 0.00 C ATOM 1254 NZ LYS A 81 -28.551 -24.260 -18.803 1.00 0.00 N ATOM 0 H LYS A 81 -23.396 -22.337 -14.649 1.00 0.00 H new ATOM 0 HA LYS A 81 -26.133 -22.973 -14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -24.427 -22.159 -16.677 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -23.751 -23.776 -16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -25.210 -23.614 -18.582 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -25.999 -24.661 -17.418 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -27.531 -22.901 -16.737 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -26.626 -21.683 -17.615 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -28.506 -22.157 -18.996 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -27.165 -22.986 -19.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -28.982 -24.463 -19.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -27.900 -25.030 -18.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -29.297 -24.185 -18.082 1.00 0.00 H new ATOM 1268 N VAL A 82 -24.205 -25.588 -14.414 1.00 0.00 N ATOM 1269 CA VAL A 82 -24.201 -26.985 -13.935 1.00 0.00 C ATOM 1270 C VAL A 82 -24.867 -27.119 -12.558 1.00 0.00 C ATOM 1271 O VAL A 82 -25.672 -28.029 -12.367 1.00 0.00 O ATOM 1272 CB VAL A 82 -22.762 -27.545 -13.928 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -22.662 -28.939 -13.293 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -22.221 -27.664 -15.360 1.00 0.00 C ATOM 0 H VAL A 82 -23.270 -25.187 -14.488 1.00 0.00 H new ATOM 0 HA VAL A 82 -24.796 -27.580 -14.628 1.00 0.00 H new ATOM 0 HB VAL A 82 -22.180 -26.840 -13.335 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -21.626 -29.277 -13.319 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -23.003 -28.893 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -23.286 -29.638 -13.850 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -21.206 -28.060 -15.334 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -22.858 -28.336 -15.935 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -22.214 -26.680 -15.829 1.00 0.00 H new ATOM 1284 N HIS A 83 -24.607 -26.202 -11.616 1.00 0.00 N ATOM 1285 CA HIS A 83 -25.293 -26.161 -10.316 1.00 0.00 C ATOM 1286 C HIS A 83 -26.816 -26.045 -10.488 1.00 0.00 C ATOM 1287 O HIS A 83 -27.565 -26.812 -9.882 1.00 0.00 O ATOM 1288 CB HIS A 83 -24.733 -25.005 -9.464 1.00 0.00 C ATOM 1289 CG HIS A 83 -25.566 -24.670 -8.248 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -25.469 -25.249 -7.006 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -26.569 -23.741 -8.177 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -26.392 -24.694 -6.205 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -27.115 -23.765 -6.877 1.00 0.00 N ATOM 0 H HIS A 83 -23.912 -25.465 -11.734 1.00 0.00 H new ATOM 0 HA HIS A 83 -25.104 -27.099 -9.795 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -23.725 -25.263 -9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -24.649 -24.116 -10.089 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -24.807 -25.978 -6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -26.889 -23.097 -8.983 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -26.539 -24.952 -5.167 1.00 0.00 H new ATOM 1301 N ILE A 84 -27.292 -25.140 -11.350 1.00 0.00 N ATOM 1302 CA ILE A 84 -28.726 -24.958 -11.612 1.00 0.00 C ATOM 1303 C ILE A 84 -29.327 -26.223 -12.244 1.00 0.00 C ATOM 1304 O ILE A 84 -30.330 -26.728 -11.740 1.00 0.00 O ATOM 1305 CB ILE A 84 -28.973 -23.666 -12.428 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -28.605 -22.433 -11.565 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -30.441 -23.571 -12.882 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -28.588 -21.101 -12.322 1.00 0.00 C ATOM 0 H ILE A 84 -26.694 -24.512 -11.887 1.00 0.00 H new ATOM 0 HA ILE A 84 -29.254 -24.818 -10.669 1.00 0.00 H new ATOM 0 HB ILE A 84 -28.345 -23.692 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -29.316 -22.358 -10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -27.622 -22.596 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -30.587 -22.654 -13.453 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -30.685 -24.430 -13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -31.092 -23.561 -12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -28.320 -20.297 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -27.856 -21.150 -13.128 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -29.576 -20.908 -12.740 1.00 0.00 H new ATOM 1320 N GLU A 85 -28.687 -26.783 -13.273 1.00 0.00 N ATOM 1321 CA GLU A 85 -29.124 -28.012 -13.961 1.00 0.00 C ATOM 1322 C GLU A 85 -29.205 -29.247 -13.043 1.00 0.00 C ATOM 1323 O GLU A 85 -30.075 -30.094 -13.253 1.00 0.00 O ATOM 1324 CB GLU A 85 -28.166 -28.318 -15.125 1.00 0.00 C ATOM 1325 CG GLU A 85 -28.430 -27.414 -16.337 1.00 0.00 C ATOM 1326 CD GLU A 85 -27.422 -27.606 -17.491 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -26.678 -28.616 -17.534 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -27.400 -26.734 -18.393 1.00 0.00 O ATOM 0 H GLU A 85 -27.831 -26.390 -13.664 1.00 0.00 H new ATOM 0 HA GLU A 85 -30.135 -27.817 -14.318 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -27.136 -28.187 -14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -28.275 -29.362 -15.420 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -29.436 -27.607 -16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -28.404 -26.373 -16.014 1.00 0.00 H new ATOM 1335 N ARG A 86 -28.323 -29.357 -12.037 1.00 0.00 N ATOM 1336 CA ARG A 86 -28.216 -30.538 -11.155 1.00 0.00 C ATOM 1337 C ARG A 86 -28.980 -30.421 -9.832 1.00 0.00 C ATOM 1338 O ARG A 86 -29.500 -31.428 -9.351 1.00 0.00 O ATOM 1339 CB ARG A 86 -26.742 -30.872 -10.907 1.00 0.00 C ATOM 1340 CG ARG A 86 -26.126 -31.448 -12.191 1.00 0.00 C ATOM 1341 CD ARG A 86 -24.659 -31.803 -11.987 1.00 0.00 C ATOM 1342 NE ARG A 86 -24.475 -32.973 -11.104 1.00 0.00 N ATOM 1343 CZ ARG A 86 -23.324 -33.466 -10.682 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -22.179 -32.943 -11.021 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -23.300 -34.508 -9.901 1.00 0.00 N ATOM 0 H ARG A 86 -27.655 -28.621 -11.808 1.00 0.00 H new ATOM 0 HA ARG A 86 -28.702 -31.355 -11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -26.201 -29.976 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -26.653 -31.592 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -26.679 -32.337 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -26.218 -30.722 -12.999 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.200 -32.007 -12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.137 -30.946 -11.561 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.321 -33.448 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.152 -32.126 -11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.310 -33.351 -10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -24.173 -34.949 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -22.408 -34.883 -9.579 1.00 0.00 H new ATOM 1359 N VAL A 87 -29.034 -29.227 -9.236 1.00 0.00 N ATOM 1360 CA VAL A 87 -29.584 -29.003 -7.880 1.00 0.00 C ATOM 1361 C VAL A 87 -31.040 -28.526 -7.911 1.00 0.00 C ATOM 1362 O VAL A 87 -31.834 -28.938 -7.064 1.00 0.00 O ATOM 1363 CB VAL A 87 -28.689 -28.031 -7.075 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -29.177 -27.842 -5.632 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -27.242 -28.546 -6.992 1.00 0.00 C ATOM 0 H VAL A 87 -28.695 -28.373 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 87 -29.584 -29.967 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 87 -28.739 -27.083 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -28.514 -27.151 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -30.189 -27.437 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -29.175 -28.803 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -26.637 -27.842 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -27.230 -29.518 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -26.832 -28.643 -7.997 1.00 0.00 H new ATOM 1375 N HIS A 88 -31.411 -27.686 -8.886 1.00 0.00 N ATOM 1376 CA HIS A 88 -32.738 -27.050 -8.956 1.00 0.00 C ATOM 1377 C HIS A 88 -33.590 -27.558 -10.131 1.00 0.00 C ATOM 1378 O HIS A 88 -34.803 -27.730 -9.992 1.00 0.00 O ATOM 1379 CB HIS A 88 -32.548 -25.527 -8.995 1.00 0.00 C ATOM 1380 CG HIS A 88 -31.739 -25.014 -7.829 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -32.092 -25.067 -6.500 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -30.507 -24.427 -7.893 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -31.108 -24.514 -5.776 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -30.107 -24.090 -6.583 1.00 0.00 N ATOM 0 H HIS A 88 -30.795 -27.425 -9.656 1.00 0.00 H new ATOM 0 HA HIS A 88 -33.303 -27.326 -8.065 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -32.053 -25.250 -9.926 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -33.524 -25.042 -8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -29.937 -24.251 -8.793 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -31.113 -24.420 -4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -29.244 -23.624 -6.302 1.00 0.00 H new