USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 562 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 Single : A 30 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 33 GLN : amide:sc= -0.748 K(o=-0.75,f=-6.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00811) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 0.528 (180deg=0.175) USER MOD Single : A 49 GLN : amide:sc= 0.473 K(o=0.47,f=-0.17) USER MOD Single : A 51 HIS : +bothHN:sc= -0.313 K(o=-0.31,f=-4.1!) USER MOD Single : A 53 SER OG : rot 89:sc= 0.436 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.332 X(o=-0.33,f=0.074) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00368) USER MOD Single : A 72 THR OG1 : rot -29:sc= 0.109 USER MOD Single : A 74 ASN : amide:sc= 0.333 K(o=0.33,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= 1.2 (180deg=-1.16) USER MOD Single : A 77 HIS : no HD1:sc= -0.529 K(o=-0.53,f=-1.5) USER MOD Single : A 80 THR OG1 : rot 78:sc= 0.00681 USER MOD Single : A 82 TYR OH : rot 148:sc= -0.522 USER MOD Single : A 83 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.00066) USER MOD Single : A 84 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 88 THR OG1 : rot -74:sc= 0.647 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -6.660 3.591 1.047 1.00 0.00 N ATOM 96 CA ARG A 27 -6.089 4.335 -0.074 1.00 0.00 C ATOM 97 C ARG A 27 -5.368 5.609 0.431 1.00 0.00 C ATOM 98 O ARG A 27 -5.957 6.449 1.123 1.00 0.00 O ATOM 99 CB ARG A 27 -7.205 4.651 -1.129 1.00 0.00 C ATOM 100 CG ARG A 27 -6.998 5.954 -1.928 1.00 0.00 C ATOM 101 CD ARG A 27 -8.030 6.175 -3.037 1.00 0.00 C ATOM 102 NE ARG A 27 -8.075 7.586 -3.439 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.069 8.157 -4.122 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.034 7.423 -4.668 1.00 0.00 N ATOM 105 NH2 ARG A 27 -9.075 9.463 -4.265 1.00 0.00 N ATOM 0 HA ARG A 27 -5.335 3.725 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.267 3.819 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.164 4.707 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.032 6.799 -1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.002 5.943 -2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.782 5.555 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.014 5.860 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.285 8.176 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.021 6.408 -4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.787 7.875 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.327 10.024 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.827 9.916 -4.784 1.00 0.00 H new ATOM 119 N ALA A 28 -4.069 5.674 0.119 1.00 0.00 N ATOM 120 CA ALA A 28 -3.206 6.823 0.391 1.00 0.00 C ATOM 121 C ALA A 28 -3.241 7.792 -0.817 1.00 0.00 C ATOM 122 O ALA A 28 -3.662 8.950 -0.695 1.00 0.00 O ATOM 123 CB ALA A 28 -1.769 6.328 0.678 1.00 0.00 C ATOM 0 H ALA A 28 -3.578 4.908 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.562 7.363 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.124 7.183 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.778 5.666 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.391 5.786 -0.189 1.00 0.00 H new ATOM 129 N TRP A 29 -2.826 7.276 -1.988 1.00 0.00 N ATOM 130 CA TRP A 29 -2.695 8.053 -3.234 1.00 0.00 C ATOM 131 C TRP A 29 -3.995 8.046 -4.053 1.00 0.00 C ATOM 132 O TRP A 29 -4.768 7.085 -4.003 1.00 0.00 O ATOM 133 CB TRP A 29 -1.557 7.466 -4.110 1.00 0.00 C ATOM 134 CG TRP A 29 -0.256 7.266 -3.379 1.00 0.00 C ATOM 135 CD1 TRP A 29 0.536 8.227 -2.808 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.404 6.018 -3.154 1.00 0.00 C ATOM 137 NE1 TRP A 29 1.631 7.643 -2.225 1.00 0.00 N ATOM 138 CE2 TRP A 29 1.574 6.290 -2.429 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.111 4.696 -3.492 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.453 5.286 -2.041 1.00 0.00 C ATOM 141 CZ3 TRP A 29 0.983 3.700 -3.110 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.142 3.999 -2.389 1.00 0.00 C ATOM 0 H TRP A 29 -2.569 6.295 -2.097 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.468 9.080 -2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.883 6.509 -4.516 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.386 8.130 -4.957 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.329 9.287 -2.816 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.368 8.136 -1.721 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.786 4.457 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.350 5.513 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.768 2.674 -3.371 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.806 3.198 -2.100 1.00 0.00 H new ATOM 153 N THR A 30 -4.227 9.138 -4.797 1.00 0.00 N ATOM 154 CA THR A 30 -5.280 9.209 -5.822 1.00 0.00 C ATOM 155 C THR A 30 -4.779 8.571 -7.132 1.00 0.00 C ATOM 156 O THR A 30 -3.594 8.246 -7.252 1.00 0.00 O ATOM 157 CB THR A 30 -5.707 10.690 -6.100 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.561 11.460 -6.501 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.375 11.350 -4.876 1.00 0.00 C ATOM 0 H THR A 30 -3.688 9.999 -4.705 1.00 0.00 H new ATOM 0 HA THR A 30 -6.147 8.664 -5.449 1.00 0.00 H new ATOM 0 HB THR A 30 -6.445 10.669 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.833 12.385 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.652 12.375 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.268 10.789 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.677 11.353 -4.038 1.00 0.00 H new ATOM 167 N VAL A 31 -5.679 8.445 -8.120 1.00 0.00 N ATOM 168 CA VAL A 31 -5.373 7.837 -9.432 1.00 0.00 C ATOM 169 C VAL A 31 -4.227 8.597 -10.155 1.00 0.00 C ATOM 170 O VAL A 31 -3.356 7.977 -10.781 1.00 0.00 O ATOM 171 CB VAL A 31 -6.673 7.775 -10.316 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.397 7.297 -11.759 1.00 0.00 C ATOM 173 CG2 VAL A 31 -7.747 6.889 -9.645 1.00 0.00 C ATOM 0 H VAL A 31 -6.645 8.762 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.023 6.818 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.048 8.796 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.331 7.275 -12.320 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.700 7.982 -12.242 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.965 6.297 -11.735 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.638 6.859 -10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.358 5.879 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.003 7.303 -8.670 1.00 0.00 H new ATOM 183 N GLU A 32 -4.230 9.942 -10.024 1.00 0.00 N ATOM 184 CA GLU A 32 -3.188 10.810 -10.622 1.00 0.00 C ATOM 185 C GLU A 32 -1.847 10.706 -9.857 1.00 0.00 C ATOM 186 O GLU A 32 -0.774 10.770 -10.473 1.00 0.00 O ATOM 187 CB GLU A 32 -3.665 12.284 -10.697 1.00 0.00 C ATOM 188 CG GLU A 32 -4.033 12.915 -9.345 1.00 0.00 C ATOM 189 CD GLU A 32 -4.373 14.407 -9.463 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.438 15.229 -9.581 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.567 14.769 -9.457 1.00 0.00 O ATOM 0 H GLU A 32 -4.946 10.453 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.016 10.454 -11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.879 12.882 -11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.533 12.337 -11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.885 12.384 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.202 12.789 -8.651 1.00 0.00 H new ATOM 198 N GLN A 33 -1.918 10.561 -8.516 1.00 0.00 N ATOM 199 CA GLN A 33 -0.727 10.355 -7.659 1.00 0.00 C ATOM 200 C GLN A 33 -0.067 8.986 -7.934 1.00 0.00 C ATOM 201 O GLN A 33 1.140 8.838 -7.746 1.00 0.00 O ATOM 202 CB GLN A 33 -1.086 10.511 -6.153 1.00 0.00 C ATOM 203 CG GLN A 33 -1.468 11.946 -5.740 1.00 0.00 C ATOM 204 CD GLN A 33 -1.832 12.111 -4.257 1.00 0.00 C ATOM 205 OE1 GLN A 33 -2.349 11.198 -3.619 1.00 0.00 O ATOM 206 NE2 GLN A 33 -1.566 13.282 -3.697 1.00 0.00 N ATOM 0 H GLN A 33 -2.797 10.583 -7.998 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.001 11.128 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.916 9.844 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.236 10.186 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.635 12.610 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.314 12.271 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.136 14.025 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.791 13.441 -2.715 1.00 0.00 H new ATOM 215 N LEU A 34 -0.872 8.001 -8.376 1.00 0.00 N ATOM 216 CA LEU A 34 -0.379 6.667 -8.776 1.00 0.00 C ATOM 217 C LEU A 34 0.464 6.754 -10.060 1.00 0.00 C ATOM 218 O LEU A 34 1.603 6.299 -10.096 1.00 0.00 O ATOM 219 CB LEU A 34 -1.573 5.706 -9.012 1.00 0.00 C ATOM 220 CG LEU A 34 -2.405 5.334 -7.759 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.699 4.597 -8.159 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.549 4.520 -6.761 1.00 0.00 C ATOM 0 H LEU A 34 -1.882 8.107 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 34 0.247 6.284 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.240 6.161 -9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.191 4.787 -9.456 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.706 6.251 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.267 4.346 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.300 5.240 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.446 3.683 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.150 4.268 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.204 3.604 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.689 5.114 -6.451 1.00 0.00 H new ATOM 234 N ARG A 35 -0.115 7.385 -11.106 1.00 0.00 N ATOM 235 CA ARG A 35 0.533 7.515 -12.436 1.00 0.00 C ATOM 236 C ARG A 35 1.666 8.571 -12.419 1.00 0.00 C ATOM 237 O ARG A 35 2.406 8.700 -13.400 1.00 0.00 O ATOM 238 CB ARG A 35 -0.521 7.814 -13.545 1.00 0.00 C ATOM 239 CG ARG A 35 -1.272 9.156 -13.392 1.00 0.00 C ATOM 240 CD ARG A 35 -2.427 9.320 -14.397 1.00 0.00 C ATOM 241 NE ARG A 35 -1.968 9.288 -15.797 1.00 0.00 N ATOM 242 CZ ARG A 35 -2.741 9.047 -16.870 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.029 8.760 -16.737 1.00 0.00 N ATOM 244 NH2 ARG A 35 -2.208 9.097 -18.080 1.00 0.00 N ATOM 0 H ARG A 35 -1.038 7.817 -11.056 1.00 0.00 H new ATOM 0 HA ARG A 35 0.997 6.558 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.020 7.804 -14.513 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.252 7.006 -13.557 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.667 9.231 -12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.567 9.977 -13.521 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.157 8.526 -14.239 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.938 10.264 -14.207 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.978 9.464 -15.967 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.449 8.719 -15.808 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.599 8.580 -17.563 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.218 9.317 -18.193 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.787 8.916 -18.900 1.00 0.00 H new ATOM 258 N SER A 36 1.748 9.358 -11.321 1.00 0.00 N ATOM 259 CA SER A 36 2.871 10.283 -11.059 1.00 0.00 C ATOM 260 C SER A 36 4.223 9.536 -11.130 1.00 0.00 C ATOM 261 O SER A 36 4.452 8.577 -10.387 1.00 0.00 O ATOM 262 CB SER A 36 2.696 10.947 -9.670 1.00 0.00 C ATOM 263 OG SER A 36 3.803 11.769 -9.315 1.00 0.00 O ATOM 0 H SER A 36 1.035 9.368 -10.592 1.00 0.00 H new ATOM 0 HA SER A 36 2.869 11.058 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.787 11.548 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.566 10.172 -8.914 1.00 0.00 H new ATOM 0 HG SER A 36 3.646 12.167 -8.433 1.00 0.00 H new ATOM 269 N GLU A 37 5.102 9.996 -12.038 1.00 0.00 N ATOM 270 CA GLU A 37 6.397 9.354 -12.340 1.00 0.00 C ATOM 271 C GLU A 37 7.377 9.449 -11.154 1.00 0.00 C ATOM 272 O GLU A 37 8.275 8.610 -11.006 1.00 0.00 O ATOM 273 CB GLU A 37 7.003 9.999 -13.612 1.00 0.00 C ATOM 274 CG GLU A 37 6.070 9.942 -14.845 1.00 0.00 C ATOM 275 CD GLU A 37 6.672 10.599 -16.102 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.775 11.846 -16.145 1.00 0.00 O ATOM 277 OE2 GLU A 37 7.039 9.878 -17.055 1.00 0.00 O ATOM 0 H GLU A 37 4.932 10.836 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 37 6.223 8.293 -12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.246 11.040 -13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.939 9.496 -13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.836 8.901 -15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.129 10.436 -14.602 1.00 0.00 H new ATOM 284 N GLN A 38 7.179 10.480 -10.316 1.00 0.00 N ATOM 285 CA GLN A 38 7.971 10.706 -9.088 1.00 0.00 C ATOM 286 C GLN A 38 7.722 9.586 -8.062 1.00 0.00 C ATOM 287 O GLN A 38 8.606 9.269 -7.256 1.00 0.00 O ATOM 288 CB GLN A 38 7.613 12.092 -8.495 1.00 0.00 C ATOM 289 CG GLN A 38 7.888 13.265 -9.457 1.00 0.00 C ATOM 290 CD GLN A 38 7.426 14.623 -8.926 1.00 0.00 C ATOM 291 OE1 GLN A 38 6.468 14.710 -8.157 1.00 0.00 O ATOM 292 NE2 GLN A 38 8.083 15.683 -9.351 1.00 0.00 N ATOM 0 H GLN A 38 6.460 11.187 -10.470 1.00 0.00 H new ATOM 0 HA GLN A 38 9.032 10.690 -9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.558 12.099 -8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.183 12.244 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.958 13.311 -9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.390 13.068 -10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.872 15.572 -9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.803 16.614 -9.043 1.00 0.00 H new ATOM 301 N LEU A 39 6.510 8.999 -8.098 1.00 0.00 N ATOM 302 CA LEU A 39 6.174 7.792 -7.327 1.00 0.00 C ATOM 303 C LEU A 39 6.670 6.565 -8.131 1.00 0.00 C ATOM 304 O LEU A 39 6.229 6.383 -9.262 1.00 0.00 O ATOM 305 CB LEU A 39 4.633 7.717 -7.078 1.00 0.00 C ATOM 306 CG LEU A 39 4.124 6.543 -6.182 1.00 0.00 C ATOM 307 CD1 LEU A 39 4.775 6.570 -4.784 1.00 0.00 C ATOM 308 CD2 LEU A 39 2.579 6.548 -6.086 1.00 0.00 C ATOM 0 H LEU A 39 5.738 9.351 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 39 6.657 7.814 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.316 8.655 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.135 7.648 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 39 4.426 5.610 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.396 5.738 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.857 6.481 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.533 7.510 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.251 5.721 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.245 7.490 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.152 6.437 -7.083 1.00 0.00 H new ATOM 320 N PRO A 40 7.639 5.751 -7.601 1.00 0.00 N ATOM 321 CA PRO A 40 8.134 4.527 -8.293 1.00 0.00 C ATOM 322 C PRO A 40 7.100 3.378 -8.316 1.00 0.00 C ATOM 323 O PRO A 40 6.126 3.381 -7.548 1.00 0.00 O ATOM 324 CB PRO A 40 9.400 4.125 -7.467 1.00 0.00 C ATOM 325 CG PRO A 40 9.697 5.317 -6.606 1.00 0.00 C ATOM 326 CD PRO A 40 8.359 5.957 -6.322 1.00 0.00 C ATOM 0 HA PRO A 40 8.340 4.720 -9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.211 3.238 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.240 3.891 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.193 5.019 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.364 6.012 -7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.848 5.480 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.457 7.014 -6.075 1.00 0.00 H new ATOM 334 N LYS A 41 7.346 2.392 -9.203 1.00 0.00 N ATOM 335 CA LYS A 41 6.522 1.174 -9.311 1.00 0.00 C ATOM 336 C LYS A 41 6.690 0.298 -8.066 1.00 0.00 C ATOM 337 O LYS A 41 5.707 -0.194 -7.519 1.00 0.00 O ATOM 338 CB LYS A 41 6.890 0.356 -10.584 1.00 0.00 C ATOM 339 CG LYS A 41 6.599 1.087 -11.914 1.00 0.00 C ATOM 340 CD LYS A 41 6.831 0.214 -13.165 1.00 0.00 C ATOM 341 CE LYS A 41 8.274 -0.306 -13.289 1.00 0.00 C ATOM 342 NZ LYS A 41 9.279 0.788 -13.341 1.00 0.00 N ATOM 0 H LYS A 41 8.122 2.419 -9.864 1.00 0.00 H new ATOM 0 HA LYS A 41 5.481 1.486 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.950 0.103 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.338 -0.584 -10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.565 1.433 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.231 1.973 -11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.148 -0.635 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.584 0.794 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.495 -0.956 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.360 -0.915 -14.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.227 0.382 -13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.059 1.424 -14.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.255 1.324 -12.450 1.00 0.00 H new ATOM 356 N LYS A 42 7.947 0.171 -7.608 1.00 0.00 N ATOM 357 CA LYS A 42 8.319 -0.644 -6.430 1.00 0.00 C ATOM 358 C LYS A 42 7.635 -0.133 -5.153 1.00 0.00 C ATOM 359 O LYS A 42 7.367 -0.905 -4.244 1.00 0.00 O ATOM 360 CB LYS A 42 9.867 -0.650 -6.264 1.00 0.00 C ATOM 361 CG LYS A 42 10.493 0.750 -6.060 1.00 0.00 C ATOM 362 CD LYS A 42 12.035 0.742 -6.156 1.00 0.00 C ATOM 363 CE LYS A 42 12.646 2.145 -6.019 1.00 0.00 C ATOM 364 NZ LYS A 42 14.116 2.133 -6.240 1.00 0.00 N ATOM 0 H LYS A 42 8.743 0.634 -8.046 1.00 0.00 H new ATOM 0 HA LYS A 42 7.974 -1.665 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.126 -1.278 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.313 -1.109 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.092 1.434 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.197 1.135 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.440 0.096 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.333 0.312 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.176 2.817 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.431 2.539 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.490 3.098 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.567 1.511 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.320 1.781 -7.197 1.00 0.00 H new ATOM 378 N ASP A 43 7.351 1.176 -5.107 1.00 0.00 N ATOM 379 CA ASP A 43 6.714 1.808 -3.942 1.00 0.00 C ATOM 380 C ASP A 43 5.236 1.371 -3.831 1.00 0.00 C ATOM 381 O ASP A 43 4.763 1.031 -2.737 1.00 0.00 O ATOM 382 CB ASP A 43 6.837 3.345 -4.031 1.00 0.00 C ATOM 383 CG ASP A 43 6.677 4.033 -2.664 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.693 4.210 -1.953 1.00 0.00 O ATOM 385 OD2 ASP A 43 5.544 4.374 -2.282 1.00 0.00 O ATOM 0 H ASP A 43 7.554 1.823 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 43 7.229 1.480 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.808 3.604 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.080 3.727 -4.716 1.00 0.00 H new ATOM 390 N ILE A 44 4.527 1.349 -4.981 1.00 0.00 N ATOM 391 CA ILE A 44 3.101 0.951 -5.034 1.00 0.00 C ATOM 392 C ILE A 44 2.959 -0.577 -4.823 1.00 0.00 C ATOM 393 O ILE A 44 2.111 -1.019 -4.060 1.00 0.00 O ATOM 394 CB ILE A 44 2.405 1.355 -6.390 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.635 2.864 -6.710 1.00 0.00 C ATOM 396 CG2 ILE A 44 0.884 1.028 -6.360 1.00 0.00 C ATOM 397 CD1 ILE A 44 1.940 3.355 -7.972 1.00 0.00 C ATOM 0 H ILE A 44 4.919 1.603 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 44 2.599 1.490 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 44 2.863 0.765 -7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.288 3.459 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.706 3.043 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.431 1.317 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.745 -0.042 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.409 1.579 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.154 4.414 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.303 2.790 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.864 3.213 -7.873 1.00 0.00 H new ATOM 409 N ILE A 45 3.809 -1.355 -5.520 1.00 0.00 N ATOM 410 CA ILE A 45 3.845 -2.840 -5.402 1.00 0.00 C ATOM 411 C ILE A 45 4.137 -3.270 -3.950 1.00 0.00 C ATOM 412 O ILE A 45 3.528 -4.216 -3.444 1.00 0.00 O ATOM 413 CB ILE A 45 4.924 -3.458 -6.375 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.553 -3.141 -7.852 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.107 -4.990 -6.168 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.594 -3.529 -8.889 1.00 0.00 C ATOM 0 H ILE A 45 4.491 -0.981 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 45 2.863 -3.218 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 45 5.882 -2.995 -6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.620 -3.652 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.362 -2.071 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.860 -5.364 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.429 -5.183 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.160 -5.498 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.234 -3.264 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.524 -2.998 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.771 -4.603 -8.842 1.00 0.00 H new ATOM 428 N LYS A 46 5.049 -2.532 -3.285 1.00 0.00 N ATOM 429 CA LYS A 46 5.380 -2.751 -1.866 1.00 0.00 C ATOM 430 C LYS A 46 4.147 -2.511 -0.988 1.00 0.00 C ATOM 431 O LYS A 46 3.831 -3.327 -0.131 1.00 0.00 O ATOM 432 CB LYS A 46 6.531 -1.829 -1.395 1.00 0.00 C ATOM 433 CG LYS A 46 6.965 -2.052 0.073 1.00 0.00 C ATOM 434 CD LYS A 46 8.096 -1.104 0.516 1.00 0.00 C ATOM 435 CE LYS A 46 8.578 -1.402 1.943 1.00 0.00 C ATOM 436 NZ LYS A 46 7.481 -1.301 2.942 1.00 0.00 N ATOM 0 H LYS A 46 5.574 -1.771 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 46 5.708 -3.786 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.393 -1.983 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.222 -0.791 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.104 -1.912 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.294 -3.084 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.934 -1.194 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.746 -0.073 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.007 -2.404 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.373 -0.705 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.877 -1.037 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.800 -0.577 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.998 -2.219 3.021 1.00 0.00 H new ATOM 450 N PHE A 47 3.454 -1.381 -1.259 1.00 0.00 N ATOM 451 CA PHE A 47 2.243 -0.978 -0.517 1.00 0.00 C ATOM 452 C PHE A 47 1.162 -2.063 -0.619 1.00 0.00 C ATOM 453 O PHE A 47 0.650 -2.542 0.390 1.00 0.00 O ATOM 454 CB PHE A 47 1.690 0.373 -1.069 1.00 0.00 C ATOM 455 CG PHE A 47 0.503 0.952 -0.291 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.560 1.044 1.088 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.648 1.404 -0.930 1.00 0.00 C ATOM 458 CE1 PHE A 47 -0.491 1.568 1.817 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.701 1.932 -0.203 1.00 0.00 C ATOM 460 CZ PHE A 47 -1.623 2.016 1.170 1.00 0.00 C ATOM 0 H PHE A 47 3.719 -0.727 -1.996 1.00 0.00 H new ATOM 0 HA PHE A 47 2.514 -0.848 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.497 1.106 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.390 0.229 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.443 0.700 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.720 1.342 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.425 1.626 2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.587 2.279 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.444 2.430 1.736 1.00 0.00 H new ATOM 470 N LEU A 48 0.883 -2.480 -1.850 1.00 0.00 N ATOM 471 CA LEU A 48 -0.209 -3.411 -2.161 1.00 0.00 C ATOM 472 C LEU A 48 0.088 -4.831 -1.671 1.00 0.00 C ATOM 473 O LEU A 48 -0.839 -5.546 -1.299 1.00 0.00 O ATOM 474 CB LEU A 48 -0.499 -3.389 -3.674 1.00 0.00 C ATOM 475 CG LEU A 48 -0.963 -2.012 -4.230 1.00 0.00 C ATOM 476 CD1 LEU A 48 -1.184 -2.077 -5.759 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.214 -1.498 -3.477 1.00 0.00 C ATOM 0 H LEU A 48 1.410 -2.182 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.099 -3.080 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.401 -3.695 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.267 -4.131 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.168 -1.287 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.508 -1.101 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.251 -2.355 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.949 -2.820 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.515 -0.534 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.029 -2.213 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.980 -1.385 -2.418 1.00 0.00 H new ATOM 489 N GLN A 49 1.375 -5.228 -1.650 1.00 0.00 N ATOM 490 CA GLN A 49 1.769 -6.557 -1.129 1.00 0.00 C ATOM 491 C GLN A 49 1.848 -6.520 0.404 1.00 0.00 C ATOM 492 O GLN A 49 1.669 -7.552 1.068 1.00 0.00 O ATOM 493 CB GLN A 49 3.103 -7.088 -1.748 1.00 0.00 C ATOM 494 CG GLN A 49 4.400 -6.530 -1.124 1.00 0.00 C ATOM 495 CD GLN A 49 5.678 -7.247 -1.585 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.618 -7.414 -0.808 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.762 -7.601 -2.859 1.00 0.00 N ATOM 0 H GLN A 49 2.153 -4.658 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 49 0.995 -7.262 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.117 -8.174 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.105 -6.856 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.482 -5.471 -1.369 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.328 -6.601 -0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.969 -7.452 -3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.620 -8.022 -3.216 1.00 0.00 H new ATOM 506 N GLU A 50 2.110 -5.311 0.948 1.00 0.00 N ATOM 507 CA GLU A 50 2.265 -5.082 2.396 1.00 0.00 C ATOM 508 C GLU A 50 0.990 -5.480 3.155 1.00 0.00 C ATOM 509 O GLU A 50 1.063 -5.982 4.279 1.00 0.00 O ATOM 510 CB GLU A 50 2.582 -3.586 2.681 1.00 0.00 C ATOM 511 CG GLU A 50 3.113 -3.275 4.092 1.00 0.00 C ATOM 512 CD GLU A 50 4.523 -3.840 4.336 1.00 0.00 C ATOM 513 OE1 GLU A 50 5.521 -3.164 3.981 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.644 -4.970 4.855 1.00 0.00 O ATOM 0 H GLU A 50 2.220 -4.465 0.390 1.00 0.00 H new ATOM 0 HA GLU A 50 3.093 -5.701 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.317 -3.244 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.675 -3.004 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.129 -2.195 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.428 -3.688 4.832 1.00 0.00 H new ATOM 521 N HIS A 51 -0.178 -5.284 2.514 1.00 0.00 N ATOM 522 CA HIS A 51 -1.477 -5.551 3.168 1.00 0.00 C ATOM 523 C HIS A 51 -2.436 -6.376 2.309 1.00 0.00 C ATOM 524 O HIS A 51 -3.345 -6.949 2.867 1.00 0.00 O ATOM 525 CB HIS A 51 -2.143 -4.231 3.620 1.00 0.00 C ATOM 526 CG HIS A 51 -2.517 -3.256 2.526 1.00 0.00 C ATOM 527 ND1 HIS A 51 -1.599 -2.466 1.887 1.00 0.00 N ATOM 528 CD2 HIS A 51 -3.720 -2.894 2.022 1.00 0.00 C ATOM 529 CE1 HIS A 51 -2.215 -1.663 1.046 1.00 0.00 C ATOM 530 NE2 HIS A 51 -3.502 -1.901 1.108 1.00 0.00 N ATOM 0 H HIS A 51 -0.251 -4.946 1.555 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.256 -6.160 4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.045 -4.478 4.180 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.467 -3.727 4.310 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.591 -2.496 2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.678 -3.313 2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.739 -0.930 0.411 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.222 -1.425 0.565 1.00 0.00 H new ATOM 539 N GLY A 52 -2.248 -6.435 0.980 1.00 0.00 N ATOM 540 CA GLY A 52 -3.105 -7.248 0.089 1.00 0.00 C ATOM 541 C GLY A 52 -2.935 -8.750 0.329 1.00 0.00 C ATOM 542 O GLY A 52 -1.827 -9.192 0.632 1.00 0.00 O ATOM 0 H GLY A 52 -1.508 -5.929 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.149 -6.974 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.866 -7.019 -0.949 1.00 0.00 H new ATOM 546 N SER A 53 -4.028 -9.532 0.193 1.00 0.00 N ATOM 547 CA SER A 53 -4.014 -10.994 0.458 1.00 0.00 C ATOM 548 C SER A 53 -3.376 -11.784 -0.704 1.00 0.00 C ATOM 549 O SER A 53 -3.303 -11.287 -1.829 1.00 0.00 O ATOM 550 CB SER A 53 -5.443 -11.513 0.715 1.00 0.00 C ATOM 551 OG SER A 53 -6.041 -10.885 1.830 1.00 0.00 O ATOM 0 H SER A 53 -4.938 -9.176 -0.100 1.00 0.00 H new ATOM 0 HA SER A 53 -3.405 -11.152 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.056 -11.341 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.414 -12.590 0.878 1.00 0.00 H new ATOM 0 HG SER A 53 -6.497 -10.068 1.539 1.00 0.00 H new ATOM 557 N ASP A 54 -3.001 -13.048 -0.405 1.00 0.00 N ATOM 558 CA ASP A 54 -2.190 -13.918 -1.294 1.00 0.00 C ATOM 559 C ASP A 54 -2.788 -14.069 -2.705 1.00 0.00 C ATOM 560 O ASP A 54 -2.059 -14.009 -3.698 1.00 0.00 O ATOM 561 CB ASP A 54 -2.036 -15.327 -0.670 1.00 0.00 C ATOM 562 CG ASP A 54 -1.350 -15.318 0.704 1.00 0.00 C ATOM 563 OD1 ASP A 54 -2.054 -15.187 1.730 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.106 -15.440 0.769 1.00 0.00 O ATOM 0 H ASP A 54 -3.256 -13.501 0.473 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.221 -13.428 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.022 -15.782 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.461 -15.956 -1.350 1.00 0.00 H new ATOM 569 N SER A 55 -4.114 -14.266 -2.765 1.00 0.00 N ATOM 570 CA SER A 55 -4.844 -14.512 -4.028 1.00 0.00 C ATOM 571 C SER A 55 -4.850 -13.259 -4.921 1.00 0.00 C ATOM 572 O SER A 55 -4.663 -13.365 -6.133 1.00 0.00 O ATOM 573 CB SER A 55 -6.292 -14.953 -3.717 1.00 0.00 C ATOM 574 OG SER A 55 -7.014 -15.269 -4.895 1.00 0.00 O ATOM 0 H SER A 55 -4.715 -14.260 -1.941 1.00 0.00 H new ATOM 0 HA SER A 55 -4.332 -15.307 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.273 -15.822 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.806 -14.157 -3.179 1.00 0.00 H new ATOM 0 HG SER A 55 -7.924 -15.545 -4.657 1.00 0.00 H new ATOM 580 N PHE A 56 -5.038 -12.078 -4.298 1.00 0.00 N ATOM 581 CA PHE A 56 -5.015 -10.778 -5.001 1.00 0.00 C ATOM 582 C PHE A 56 -3.616 -10.534 -5.596 1.00 0.00 C ATOM 583 O PHE A 56 -3.471 -10.192 -6.779 1.00 0.00 O ATOM 584 CB PHE A 56 -5.400 -9.632 -4.018 1.00 0.00 C ATOM 585 CG PHE A 56 -5.343 -8.228 -4.623 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.403 -7.733 -5.380 1.00 0.00 C ATOM 587 CD2 PHE A 56 -4.219 -7.413 -4.451 1.00 0.00 C ATOM 588 CE1 PHE A 56 -6.342 -6.478 -5.948 1.00 0.00 C ATOM 589 CE2 PHE A 56 -4.164 -6.160 -5.016 1.00 0.00 C ATOM 590 CZ PHE A 56 -5.221 -5.698 -5.764 1.00 0.00 C ATOM 0 H PHE A 56 -5.210 -11.998 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.743 -10.794 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.409 -9.813 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.732 -9.670 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.284 -8.341 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.384 -7.772 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.170 -6.108 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.292 -5.540 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.172 -4.716 -6.211 1.00 0.00 H new ATOM 600 N LEU A 57 -2.590 -10.747 -4.752 1.00 0.00 N ATOM 601 CA LEU A 57 -1.185 -10.532 -5.120 1.00 0.00 C ATOM 602 C LEU A 57 -0.745 -11.506 -6.220 1.00 0.00 C ATOM 603 O LEU A 57 0.098 -11.170 -7.035 1.00 0.00 O ATOM 604 CB LEU A 57 -0.262 -10.676 -3.882 1.00 0.00 C ATOM 605 CG LEU A 57 -0.584 -9.746 -2.673 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.459 -9.914 -1.548 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.736 -8.274 -3.114 1.00 0.00 C ATOM 0 H LEU A 57 -2.716 -11.074 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.098 -9.516 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.306 -11.710 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.765 -10.487 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.548 -10.051 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.209 -9.253 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.458 -10.948 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.448 -9.660 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.960 -7.655 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.193 -7.934 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.548 -8.193 -3.837 1.00 0.00 H new ATOM 619 N ALA A 58 -1.315 -12.722 -6.215 1.00 0.00 N ATOM 620 CA ALA A 58 -1.010 -13.764 -7.214 1.00 0.00 C ATOM 621 C ALA A 58 -1.581 -13.383 -8.595 1.00 0.00 C ATOM 622 O ALA A 58 -0.870 -13.444 -9.605 1.00 0.00 O ATOM 623 CB ALA A 58 -1.560 -15.122 -6.735 1.00 0.00 C ATOM 0 H ALA A 58 -2.001 -13.012 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 58 0.071 -13.848 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.332 -15.888 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.097 -15.387 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.640 -15.052 -6.605 1.00 0.00 H new ATOM 629 N GLU A 59 -2.867 -12.975 -8.622 1.00 0.00 N ATOM 630 CA GLU A 59 -3.566 -12.577 -9.865 1.00 0.00 C ATOM 631 C GLU A 59 -2.900 -11.357 -10.536 1.00 0.00 C ATOM 632 O GLU A 59 -2.832 -11.277 -11.766 1.00 0.00 O ATOM 633 CB GLU A 59 -5.058 -12.268 -9.574 1.00 0.00 C ATOM 634 CG GLU A 59 -5.864 -13.471 -9.062 1.00 0.00 C ATOM 635 CD GLU A 59 -7.340 -13.137 -8.806 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.623 -12.286 -7.937 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.234 -13.723 -9.460 1.00 0.00 O ATOM 0 H GLU A 59 -3.449 -12.912 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.498 -13.417 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.114 -11.467 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.524 -11.895 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.801 -14.280 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.414 -13.837 -8.139 1.00 0.00 H new ATOM 644 N HIS A 60 -2.404 -10.416 -9.721 1.00 0.00 N ATOM 645 CA HIS A 60 -1.769 -9.178 -10.228 1.00 0.00 C ATOM 646 C HIS A 60 -0.228 -9.278 -10.222 1.00 0.00 C ATOM 647 O HIS A 60 0.443 -8.346 -10.665 1.00 0.00 O ATOM 648 CB HIS A 60 -2.227 -7.955 -9.390 1.00 0.00 C ATOM 649 CG HIS A 60 -3.700 -7.659 -9.468 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.257 -6.886 -10.464 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.721 -8.022 -8.670 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.554 -6.789 -10.271 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.862 -7.471 -9.191 1.00 0.00 N ATOM 0 H HIS A 60 -2.428 -10.483 -8.703 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.089 -9.047 -11.262 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.958 -8.124 -8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.675 -7.076 -9.723 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.653 -8.634 -7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.247 -6.243 -10.893 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.800 -7.574 -8.803 1.00 0.00 H new ATOM 662 N LYS A 61 0.313 -10.401 -9.695 1.00 0.00 N ATOM 663 CA LYS A 61 1.782 -10.667 -9.613 1.00 0.00 C ATOM 664 C LYS A 61 2.519 -9.611 -8.749 1.00 0.00 C ATOM 665 O LYS A 61 3.704 -9.358 -8.947 1.00 0.00 O ATOM 666 CB LYS A 61 2.420 -10.803 -11.036 1.00 0.00 C ATOM 667 CG LYS A 61 1.845 -11.964 -11.879 1.00 0.00 C ATOM 668 CD LYS A 61 1.967 -13.332 -11.158 1.00 0.00 C ATOM 669 CE LYS A 61 1.393 -14.500 -11.973 1.00 0.00 C ATOM 670 NZ LYS A 61 2.187 -14.783 -13.194 1.00 0.00 N ATOM 0 H LYS A 61 -0.254 -11.157 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 61 1.906 -11.625 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.275 -9.869 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.495 -10.945 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.796 -11.765 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.369 -12.011 -12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.017 -13.529 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.450 -13.278 -10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.361 -15.393 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.366 -14.271 -12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.760 -15.579 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.197 -13.941 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.161 -15.028 -12.925 1.00 0.00 H new ATOM 684 N LEU A 62 1.805 -9.060 -7.745 1.00 0.00 N ATOM 685 CA LEU A 62 2.335 -8.041 -6.808 1.00 0.00 C ATOM 686 C LEU A 62 3.184 -8.684 -5.692 1.00 0.00 C ATOM 687 O LEU A 62 3.882 -7.976 -4.970 1.00 0.00 O ATOM 688 CB LEU A 62 1.164 -7.230 -6.182 1.00 0.00 C ATOM 689 CG LEU A 62 0.315 -6.381 -7.179 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.961 -5.842 -6.508 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.150 -5.229 -7.793 1.00 0.00 C ATOM 0 H LEU A 62 0.834 -9.311 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 62 2.979 -7.370 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.499 -7.925 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.574 -6.563 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 62 0.011 -7.040 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.531 -5.255 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.569 -6.677 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.688 -5.212 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.529 -4.657 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.507 -4.574 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.002 -5.644 -8.331 1.00 0.00 H new ATOM 703 N LEU A 63 3.098 -10.025 -5.548 1.00 0.00 N ATOM 704 CA LEU A 63 3.890 -10.795 -4.555 1.00 0.00 C ATOM 705 C LEU A 63 5.366 -10.929 -4.979 1.00 0.00 C ATOM 706 O LEU A 63 5.765 -10.463 -6.048 1.00 0.00 O ATOM 707 CB LEU A 63 3.237 -12.198 -4.292 1.00 0.00 C ATOM 708 CG LEU A 63 2.704 -13.020 -5.525 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.781 -13.337 -6.583 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.005 -14.311 -5.051 1.00 0.00 C ATOM 0 H LEU A 63 2.480 -10.606 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 63 3.880 -10.237 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.972 -12.815 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.403 -12.052 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 63 1.981 -12.376 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.334 -13.905 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.194 -12.406 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.578 -13.924 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.643 -14.867 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.713 -14.925 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.164 -14.054 -4.407 1.00 0.00 H new ATOM 722 N GLY A 64 6.149 -11.610 -4.128 1.00 0.00 N ATOM 723 CA GLY A 64 7.552 -11.908 -4.421 1.00 0.00 C ATOM 724 C GLY A 64 8.474 -10.706 -4.237 1.00 0.00 C ATOM 725 O GLY A 64 8.113 -9.747 -3.547 1.00 0.00 O ATOM 0 H GLY A 64 5.828 -11.965 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.888 -12.718 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.634 -12.267 -5.447 1.00 0.00 H new ATOM 729 N ASN A 65 9.669 -10.761 -4.866 1.00 0.00 N ATOM 730 CA ASN A 65 10.683 -9.689 -4.768 1.00 0.00 C ATOM 731 C ASN A 65 10.177 -8.422 -5.479 1.00 0.00 C ATOM 732 O ASN A 65 10.040 -8.418 -6.702 1.00 0.00 O ATOM 733 CB ASN A 65 12.046 -10.145 -5.366 1.00 0.00 C ATOM 734 CG ASN A 65 12.681 -11.361 -4.667 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.398 -12.145 -5.296 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.464 -11.518 -3.358 1.00 0.00 N ATOM 0 H ASN A 65 9.956 -11.545 -5.452 1.00 0.00 H new ATOM 0 HA ASN A 65 10.844 -9.465 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.903 -10.383 -6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.745 -9.310 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.894 -12.297 -2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.868 -10.859 -2.857 1.00 0.00 H new ATOM 743 N ILE A 66 9.936 -7.367 -4.682 1.00 0.00 N ATOM 744 CA ILE A 66 9.293 -6.102 -5.107 1.00 0.00 C ATOM 745 C ILE A 66 9.972 -5.489 -6.354 1.00 0.00 C ATOM 746 O ILE A 66 9.308 -5.186 -7.342 1.00 0.00 O ATOM 747 CB ILE A 66 9.346 -5.048 -3.937 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.808 -5.655 -2.609 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.579 -3.760 -4.303 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.009 -4.787 -1.379 1.00 0.00 C ATOM 0 H ILE A 66 10.189 -7.366 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 66 8.261 -6.343 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 66 10.392 -4.780 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.743 -5.855 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.296 -6.615 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.636 -3.055 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.023 -3.312 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.535 -4.002 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.602 -5.295 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.074 -4.607 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.496 -3.835 -1.517 1.00 0.00 H new ATOM 762 N LYS A 67 11.300 -5.314 -6.266 1.00 0.00 N ATOM 763 CA LYS A 67 12.126 -4.660 -7.308 1.00 0.00 C ATOM 764 C LYS A 67 12.119 -5.471 -8.627 1.00 0.00 C ATOM 765 O LYS A 67 12.113 -4.902 -9.722 1.00 0.00 O ATOM 766 CB LYS A 67 13.578 -4.527 -6.790 1.00 0.00 C ATOM 767 CG LYS A 67 13.722 -3.734 -5.466 1.00 0.00 C ATOM 768 CD LYS A 67 15.113 -3.902 -4.811 1.00 0.00 C ATOM 769 CE LYS A 67 15.370 -5.357 -4.373 1.00 0.00 C ATOM 770 NZ LYS A 67 16.684 -5.541 -3.718 1.00 0.00 N ATOM 0 H LYS A 67 11.843 -5.625 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 67 11.705 -3.676 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.991 -5.525 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.180 -4.040 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.543 -2.677 -5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.954 -4.063 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.886 -3.593 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.189 -3.244 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.582 -5.669 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.310 -6.009 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.800 -6.538 -3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.442 -5.272 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.736 -4.942 -2.869 1.00 0.00 H new ATOM 784 N ASN A 68 12.148 -6.802 -8.481 1.00 0.00 N ATOM 785 CA ASN A 68 12.115 -7.762 -9.608 1.00 0.00 C ATOM 786 C ASN A 68 10.760 -7.695 -10.350 1.00 0.00 C ATOM 787 O ASN A 68 10.706 -7.772 -11.581 1.00 0.00 O ATOM 788 CB ASN A 68 12.376 -9.194 -9.073 1.00 0.00 C ATOM 789 CG ASN A 68 12.424 -10.278 -10.155 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.840 -10.040 -11.286 1.00 0.00 O ATOM 791 ND2 ASN A 68 12.012 -11.489 -9.800 1.00 0.00 N ATOM 0 H ASN A 68 12.196 -7.255 -7.568 1.00 0.00 H new ATOM 0 HA ASN A 68 12.896 -7.498 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.321 -9.199 -8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.595 -9.448 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.036 -12.254 -10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.672 -11.655 -8.853 1.00 0.00 H new ATOM 798 N VAL A 69 9.677 -7.555 -9.576 1.00 0.00 N ATOM 799 CA VAL A 69 8.320 -7.348 -10.120 1.00 0.00 C ATOM 800 C VAL A 69 8.241 -5.963 -10.804 1.00 0.00 C ATOM 801 O VAL A 69 7.705 -5.831 -11.895 1.00 0.00 O ATOM 802 CB VAL A 69 7.234 -7.457 -8.984 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.810 -7.161 -9.514 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.290 -8.847 -8.308 1.00 0.00 C ATOM 0 H VAL A 69 9.711 -7.581 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 69 8.117 -8.127 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 69 7.465 -6.697 -8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.093 -7.247 -8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.776 -6.151 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.557 -7.876 -10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.532 -8.902 -7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.101 -9.621 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.276 -8.999 -7.869 1.00 0.00 H new ATOM 814 N ALA A 70 8.888 -4.971 -10.171 1.00 0.00 N ATOM 815 CA ALA A 70 8.948 -3.571 -10.657 1.00 0.00 C ATOM 816 C ALA A 70 10.039 -3.386 -11.739 1.00 0.00 C ATOM 817 O ALA A 70 10.399 -2.260 -12.086 1.00 0.00 O ATOM 818 CB ALA A 70 9.188 -2.636 -9.463 1.00 0.00 C ATOM 0 H ALA A 70 9.392 -5.114 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 70 7.997 -3.321 -11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.233 -1.604 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.372 -2.742 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.129 -2.897 -8.980 1.00 0.00 H new ATOM 824 N LYS A 71 10.564 -4.506 -12.246 1.00 0.00 N ATOM 825 CA LYS A 71 11.467 -4.543 -13.408 1.00 0.00 C ATOM 826 C LYS A 71 10.661 -4.803 -14.699 1.00 0.00 C ATOM 827 O LYS A 71 11.029 -4.312 -15.775 1.00 0.00 O ATOM 828 CB LYS A 71 12.546 -5.642 -13.184 1.00 0.00 C ATOM 829 CG LYS A 71 13.515 -5.891 -14.365 1.00 0.00 C ATOM 830 CD LYS A 71 14.590 -6.960 -14.042 1.00 0.00 C ATOM 831 CE LYS A 71 15.463 -7.313 -15.265 1.00 0.00 C ATOM 832 NZ LYS A 71 16.187 -6.129 -15.809 1.00 0.00 N ATOM 0 H LYS A 71 10.372 -5.429 -11.856 1.00 0.00 H new ATOM 0 HA LYS A 71 11.968 -3.581 -13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.135 -5.372 -12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.039 -6.579 -12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.944 -6.208 -15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.007 -4.955 -14.629 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.229 -6.596 -13.237 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.101 -7.863 -13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.186 -8.079 -14.983 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.834 -7.740 -16.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.772 -6.421 -16.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.499 -5.414 -16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.796 -5.725 -15.069 1.00 0.00 H new ATOM 846 N THR A 72 9.544 -5.554 -14.580 1.00 0.00 N ATOM 847 CA THR A 72 8.778 -6.055 -15.746 1.00 0.00 C ATOM 848 C THR A 72 7.304 -5.593 -15.733 1.00 0.00 C ATOM 849 O THR A 72 6.645 -5.617 -16.780 1.00 0.00 O ATOM 850 CB THR A 72 8.840 -7.620 -15.811 1.00 0.00 C ATOM 851 OG1 THR A 72 8.147 -8.101 -16.977 1.00 0.00 O ATOM 852 CG2 THR A 72 8.250 -8.282 -14.551 1.00 0.00 C ATOM 0 H THR A 72 9.149 -5.829 -13.681 1.00 0.00 H new ATOM 0 HA THR A 72 9.247 -5.630 -16.633 1.00 0.00 H new ATOM 0 HB THR A 72 9.894 -7.893 -15.868 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.427 -7.479 -17.209 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.316 -9.366 -14.645 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.810 -7.959 -13.674 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.205 -7.990 -14.442 1.00 0.00 H new ATOM 860 N ALA A 73 6.787 -5.188 -14.564 1.00 0.00 N ATOM 861 CA ALA A 73 5.414 -4.659 -14.437 1.00 0.00 C ATOM 862 C ALA A 73 5.368 -3.212 -14.927 1.00 0.00 C ATOM 863 O ALA A 73 6.365 -2.492 -14.813 1.00 0.00 O ATOM 864 CB ALA A 73 4.919 -4.747 -12.987 1.00 0.00 C ATOM 0 H ALA A 73 7.301 -5.216 -13.684 1.00 0.00 H new ATOM 0 HA ALA A 73 4.753 -5.268 -15.054 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.906 -4.350 -12.924 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.922 -5.788 -12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.577 -4.165 -12.342 1.00 0.00 H new ATOM 870 N ASN A 74 4.223 -2.794 -15.491 1.00 0.00 N ATOM 871 CA ASN A 74 4.017 -1.395 -15.938 1.00 0.00 C ATOM 872 C ASN A 74 3.225 -0.601 -14.875 1.00 0.00 C ATOM 873 O ASN A 74 2.595 -1.193 -13.991 1.00 0.00 O ATOM 874 CB ASN A 74 3.315 -1.350 -17.331 1.00 0.00 C ATOM 875 CG ASN A 74 1.888 -1.894 -17.332 1.00 0.00 C ATOM 876 OD1 ASN A 74 0.934 -1.157 -17.105 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.734 -3.184 -17.582 1.00 0.00 N ATOM 0 H ASN A 74 3.420 -3.402 -15.651 1.00 0.00 H new ATOM 0 HA ASN A 74 4.992 -0.921 -16.052 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.299 -0.319 -17.684 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.910 -1.921 -18.044 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.800 -3.594 -17.590 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.549 -3.769 -17.767 1.00 0.00 H new ATOM 884 N LYS A 75 3.257 0.737 -14.988 1.00 0.00 N ATOM 885 CA LYS A 75 2.691 1.658 -13.980 1.00 0.00 C ATOM 886 C LYS A 75 1.145 1.627 -13.994 1.00 0.00 C ATOM 887 O LYS A 75 0.495 1.673 -12.945 1.00 0.00 O ATOM 888 CB LYS A 75 3.193 3.107 -14.236 1.00 0.00 C ATOM 889 CG LYS A 75 3.080 4.026 -13.006 1.00 0.00 C ATOM 890 CD LYS A 75 4.072 3.605 -11.892 1.00 0.00 C ATOM 891 CE LYS A 75 4.012 4.501 -10.661 1.00 0.00 C ATOM 892 NZ LYS A 75 4.286 5.921 -10.993 1.00 0.00 N ATOM 0 H LYS A 75 3.678 1.216 -15.784 1.00 0.00 H new ATOM 0 HA LYS A 75 3.028 1.327 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.234 3.070 -14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.622 3.541 -15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.278 5.057 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.061 3.995 -12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.860 2.578 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.085 3.618 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.027 4.420 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.737 4.154 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.919 6.329 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.739 5.978 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.392 6.452 -11.009 1.00 0.00 H new ATOM 906 N ASP A 76 0.588 1.547 -15.217 1.00 0.00 N ATOM 907 CA ASP A 76 -0.872 1.580 -15.477 1.00 0.00 C ATOM 908 C ASP A 76 -1.577 0.362 -14.842 1.00 0.00 C ATOM 909 O ASP A 76 -2.723 0.456 -14.374 1.00 0.00 O ATOM 910 CB ASP A 76 -1.117 1.622 -17.010 1.00 0.00 C ATOM 911 CG ASP A 76 -2.600 1.762 -17.393 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.122 2.901 -17.384 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.255 0.741 -17.698 1.00 0.00 O ATOM 0 H ASP A 76 1.144 1.456 -16.068 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.294 2.475 -15.020 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.560 2.457 -17.436 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.719 0.712 -17.458 1.00 0.00 H new ATOM 918 N HIS A 77 -0.850 -0.774 -14.812 1.00 0.00 N ATOM 919 CA HIS A 77 -1.258 -2.019 -14.135 1.00 0.00 C ATOM 920 C HIS A 77 -1.496 -1.758 -12.639 1.00 0.00 C ATOM 921 O HIS A 77 -2.480 -2.225 -12.062 1.00 0.00 O ATOM 922 CB HIS A 77 -0.154 -3.104 -14.343 1.00 0.00 C ATOM 923 CG HIS A 77 -0.291 -4.325 -13.474 1.00 0.00 C ATOM 924 ND1 HIS A 77 -1.162 -5.351 -13.742 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.341 -4.664 -12.327 1.00 0.00 C ATOM 926 CE1 HIS A 77 -1.069 -6.259 -12.793 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.159 -5.868 -11.921 1.00 0.00 N ATOM 0 H HIS A 77 0.058 -0.851 -15.269 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.193 -2.379 -14.565 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.165 -3.417 -15.387 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.820 -2.651 -14.156 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.103 -4.087 -11.824 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.642 -7.172 -12.737 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.123 -6.379 -11.085 1.00 0.00 H new ATOM 936 N LEU A 78 -0.574 -0.997 -12.035 1.00 0.00 N ATOM 937 CA LEU A 78 -0.565 -0.723 -10.585 1.00 0.00 C ATOM 938 C LEU A 78 -1.735 0.158 -10.161 1.00 0.00 C ATOM 939 O LEU A 78 -2.223 0.031 -9.044 1.00 0.00 O ATOM 940 CB LEU A 78 0.763 -0.057 -10.168 1.00 0.00 C ATOM 941 CG LEU A 78 2.051 -0.812 -10.595 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.299 -0.077 -10.097 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.026 -2.280 -10.127 1.00 0.00 C ATOM 0 H LEU A 78 0.192 -0.550 -12.538 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.667 -1.683 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.794 0.947 -10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.770 0.053 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 78 2.088 -0.828 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.190 -0.622 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.323 0.927 -10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.273 -0.012 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.943 -2.778 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.951 -2.314 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.167 -2.787 -10.566 1.00 0.00 H new ATOM 955 N VAL A 79 -2.161 1.047 -11.072 1.00 0.00 N ATOM 956 CA VAL A 79 -3.317 1.941 -10.860 1.00 0.00 C ATOM 957 C VAL A 79 -4.608 1.106 -10.745 1.00 0.00 C ATOM 958 O VAL A 79 -5.388 1.266 -9.796 1.00 0.00 O ATOM 959 CB VAL A 79 -3.451 2.987 -12.033 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.634 3.962 -11.784 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.118 3.751 -12.242 1.00 0.00 C ATOM 0 H VAL A 79 -1.714 1.169 -11.981 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.158 2.493 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.669 2.441 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.701 4.671 -12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.563 3.396 -11.715 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.469 4.504 -10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.233 4.467 -13.056 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.855 4.281 -11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.328 3.043 -12.491 1.00 0.00 H new ATOM 971 N THR A 80 -4.778 0.178 -11.706 1.00 0.00 N ATOM 972 CA THR A 80 -5.925 -0.747 -11.758 1.00 0.00 C ATOM 973 C THR A 80 -5.958 -1.680 -10.529 1.00 0.00 C ATOM 974 O THR A 80 -7.008 -1.845 -9.902 1.00 0.00 O ATOM 975 CB THR A 80 -5.886 -1.598 -13.069 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.837 -0.725 -14.204 1.00 0.00 O ATOM 977 CG2 THR A 80 -7.097 -2.545 -13.207 1.00 0.00 C ATOM 0 H THR A 80 -4.118 0.049 -12.473 1.00 0.00 H new ATOM 0 HA THR A 80 -6.832 -0.142 -11.750 1.00 0.00 H new ATOM 0 HB THR A 80 -4.993 -2.220 -13.019 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.927 -0.377 -14.310 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.014 -3.109 -14.136 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.117 -3.236 -12.364 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.017 -1.960 -13.219 1.00 0.00 H new ATOM 985 N ALA A 81 -4.792 -2.236 -10.156 1.00 0.00 N ATOM 986 CA ALA A 81 -4.663 -3.163 -9.015 1.00 0.00 C ATOM 987 C ALA A 81 -5.000 -2.447 -7.697 1.00 0.00 C ATOM 988 O ALA A 81 -5.820 -2.927 -6.910 1.00 0.00 O ATOM 989 CB ALA A 81 -3.240 -3.751 -8.969 1.00 0.00 C ATOM 0 H ALA A 81 -3.911 -2.056 -10.637 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.372 -3.981 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.156 -4.434 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.040 -4.292 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.516 -2.944 -8.857 1.00 0.00 H new ATOM 995 N TYR A 82 -4.394 -1.258 -7.525 1.00 0.00 N ATOM 996 CA TYR A 82 -4.539 -0.420 -6.325 1.00 0.00 C ATOM 997 C TYR A 82 -6.020 -0.153 -6.011 1.00 0.00 C ATOM 998 O TYR A 82 -6.528 -0.561 -4.969 1.00 0.00 O ATOM 999 CB TYR A 82 -3.776 0.909 -6.565 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.815 1.928 -5.424 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.883 1.885 -4.393 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.760 2.957 -5.405 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.900 2.817 -3.387 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.765 3.898 -4.406 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.830 3.818 -3.401 1.00 0.00 C ATOM 1006 OH TYR A 82 -3.813 4.752 -2.411 1.00 0.00 O ATOM 0 H TYR A 82 -3.780 -0.848 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.119 -0.938 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.733 0.672 -6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.183 1.381 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.135 1.106 -4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.499 3.013 -6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.179 2.760 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.496 4.693 -4.409 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.121 5.612 -2.767 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.721 0.432 -6.997 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.110 0.909 -6.828 1.00 0.00 C ATOM 1018 C ASN A 83 -9.097 -0.258 -6.603 1.00 0.00 C ATOM 1019 O ASN A 83 -10.114 -0.081 -5.931 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.550 1.801 -8.033 1.00 0.00 C ATOM 1021 CG ASN A 83 -7.982 3.231 -7.956 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.544 4.094 -7.287 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -6.906 3.512 -8.676 1.00 0.00 N ATOM 0 H ASN A 83 -6.345 0.589 -7.932 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.133 1.525 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.223 1.335 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.638 1.849 -8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.529 4.460 -8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.454 2.780 -9.225 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.772 -1.451 -7.143 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.594 -2.671 -6.967 1.00 0.00 C ATOM 1032 C HIS A 84 -9.390 -3.308 -5.575 1.00 0.00 C ATOM 1033 O HIS A 84 -10.323 -3.926 -5.056 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.296 -3.708 -8.094 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.935 -3.358 -9.414 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.594 -4.281 -10.198 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.029 -2.182 -10.077 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.066 -3.688 -11.273 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.744 -2.412 -11.225 1.00 0.00 N ATOM 0 H HIS A 84 -7.937 -1.598 -7.711 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.639 -2.369 -7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.217 -3.786 -8.230 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.649 -4.689 -7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.617 -1.235 -9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.624 -4.168 -12.063 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.986 -1.711 -11.925 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.198 -3.130 -4.962 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.867 -3.742 -3.642 1.00 0.00 C ATOM 1050 C LEU A 85 -8.841 -3.271 -2.551 1.00 0.00 C ATOM 1051 O LEU A 85 -9.464 -4.078 -1.844 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.412 -3.374 -3.213 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.905 -3.985 -1.860 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.065 -5.515 -1.829 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.445 -3.573 -1.571 1.00 0.00 C ATOM 0 H LEU A 85 -7.444 -2.568 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.954 -4.823 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.733 -3.689 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.341 -2.288 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.532 -3.576 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.703 -5.899 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.117 -5.773 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.489 -5.958 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.123 -4.012 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.801 -3.929 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.379 -2.487 -1.507 1.00 0.00 H new ATOM 1067 N PHE A 86 -8.952 -1.947 -2.459 1.00 0.00 N ATOM 1068 CA PHE A 86 -9.754 -1.250 -1.443 1.00 0.00 C ATOM 1069 C PHE A 86 -11.254 -1.376 -1.753 1.00 0.00 C ATOM 1070 O PHE A 86 -12.086 -1.389 -0.842 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.324 0.234 -1.374 1.00 0.00 C ATOM 1072 CG PHE A 86 -7.808 0.418 -1.290 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.090 0.137 -0.125 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.097 0.853 -2.398 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -5.711 0.301 -0.094 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -5.737 1.007 -2.352 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.044 0.734 -1.204 1.00 0.00 C ATOM 0 H PHE A 86 -8.478 -1.311 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.579 -1.712 -0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.699 0.756 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.789 0.700 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.610 -0.210 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.625 1.074 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.164 0.085 0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.207 1.347 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.972 0.861 -1.176 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.575 -1.484 -3.053 1.00 0.00 N ATOM 1088 CA GLU A 87 -12.960 -1.543 -3.546 1.00 0.00 C ATOM 1089 C GLU A 87 -13.632 -2.870 -3.144 1.00 0.00 C ATOM 1090 O GLU A 87 -14.819 -2.898 -2.790 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.964 -1.371 -5.093 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.355 -1.194 -5.731 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.136 0.015 -5.174 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.729 1.171 -5.433 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.172 -0.182 -4.494 1.00 0.00 O ATOM 0 H GLU A 87 -10.877 -1.533 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.532 -0.734 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.353 -0.505 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.485 -2.242 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.240 -1.077 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.939 -2.100 -5.569 1.00 0.00 H new ATOM 1102 N THR A 88 -12.848 -3.954 -3.165 1.00 0.00 N ATOM 1103 CA THR A 88 -13.321 -5.321 -2.863 1.00 0.00 C ATOM 1104 C THR A 88 -12.820 -5.807 -1.484 1.00 0.00 C ATOM 1105 O THR A 88 -13.111 -6.939 -1.084 1.00 0.00 O ATOM 1106 CB THR A 88 -12.838 -6.288 -3.982 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.409 -6.208 -4.084 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.460 -5.949 -5.350 1.00 0.00 C ATOM 0 H THR A 88 -11.855 -3.912 -3.394 1.00 0.00 H new ATOM 0 HA THR A 88 -14.410 -5.309 -2.827 1.00 0.00 H new ATOM 0 HB THR A 88 -13.154 -7.296 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.159 -5.368 -4.523 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.094 -6.650 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.546 -6.022 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.181 -4.935 -5.635 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.057 -4.935 -0.776 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.572 -5.173 0.611 1.00 0.00 C ATOM 1118 C LYS A 89 -10.640 -6.416 0.704 1.00 0.00 C ATOM 1119 O LYS A 89 -10.494 -7.009 1.776 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.770 -5.297 1.608 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.770 -4.119 1.576 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.127 -2.760 1.915 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.139 -1.610 1.810 1.00 0.00 C ATOM 1124 NZ LYS A 89 -13.505 -0.294 2.048 1.00 0.00 N ATOM 0 H LYS A 89 -11.757 -4.037 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.976 -4.305 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.310 -6.219 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.374 -5.390 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.221 -4.062 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.576 -4.317 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.717 -2.793 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.293 -2.573 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.597 -1.619 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.940 -1.764 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.221 0.456 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.090 -0.276 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.758 -0.136 1.342 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.957 -6.741 -0.415 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.137 -7.978 -0.564 1.00 0.00 C ATOM 1140 C ARG A 90 -7.815 -7.948 0.210 1.00 0.00 C ATOM 1141 O ARG A 90 -6.989 -8.849 0.055 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.843 -8.243 -2.050 1.00 0.00 C ATOM 1143 CG ARG A 90 -10.051 -8.742 -2.842 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.695 -8.961 -4.308 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.813 -9.562 -5.058 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.705 -10.553 -5.958 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -9.519 -11.083 -6.243 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.792 -11.012 -6.564 1.00 0.00 N ATOM 0 H ARG A 90 -9.955 -6.154 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.736 -8.781 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.476 -7.324 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.042 -8.979 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.413 -9.675 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.863 -8.019 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.423 -8.008 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.821 -9.609 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.747 -9.194 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.680 -10.737 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.448 -11.835 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.705 -10.612 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.715 -11.764 -7.248 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.593 -6.899 0.981 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.474 -6.850 1.934 1.00 0.00 C ATOM 1164 C PHE A 91 -6.695 -7.811 3.131 1.00 0.00 C ATOM 1165 O PHE A 91 -7.825 -8.006 3.601 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.140 -5.401 2.387 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.316 -4.467 2.643 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.037 -4.519 3.831 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.682 -3.516 1.689 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.089 -3.654 4.057 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.734 -2.653 1.920 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.438 -2.721 3.102 1.00 0.00 C ATOM 0 H PHE A 91 -8.171 -6.059 0.973 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.592 -7.208 1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.549 -5.460 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.506 -4.946 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.771 -5.244 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.136 -3.455 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.640 -3.708 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.006 -1.923 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.261 -2.045 3.281 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.564 -8.420 3.533 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.413 -9.435 4.589 1.00 0.00 C ATOM 1184 C LYS A 92 -6.238 -9.107 5.853 1.00 0.00 C ATOM 1185 O LYS A 92 -7.192 -9.853 6.162 1.00 0.00 O ATOM 1186 CB LYS A 92 -3.887 -9.589 4.940 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.432 -11.024 5.296 1.00 0.00 C ATOM 1188 CD LYS A 92 -3.543 -11.978 4.080 1.00 0.00 C ATOM 1189 CE LYS A 92 -2.997 -13.384 4.356 1.00 0.00 C ATOM 1190 NZ LYS A 92 -3.720 -14.069 5.459 1.00 0.00 N ATOM 1191 OXT LYS A 92 -5.943 -8.081 6.503 1.00 0.00 O ATOM 0 H LYS A 92 -4.669 -8.199 3.097 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.804 -10.379 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.299 -9.239 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.656 -8.934 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.401 -11.002 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.041 -11.406 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.589 -12.055 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.003 -11.545 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.072 -13.984 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.938 -13.316 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.313 -15.015 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.628 -13.513 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.726 -14.160 5.211 1.00 0.00 H new