USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 48 GLN : amide:sc= -12.3! C(o=-13!,f=-11!) USER MOD Set 1.2: A 49 ASN : amide:sc= -0.442 K(o=-13,f=-11!) USER MOD Set 2.1: A 6 TYR OH : rot 94:sc= 1.12 USER MOD Set 2.2: A 37 TYR OH : rot 49:sc= 0.758! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.6) USER MOD Single : A 14 GLN : amide:sc= -0.895! X(o=-0.89!,f=-0.73) USER MOD Single : A 17 SER OG : rot -59:sc= -1.61! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00527 X(o=-0.0053,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -118:sc= -2.5! USER MOD Single : A 32 HIS : no HD1:sc= -9.54! C(o=-9.5!,f=-7.1!) USER MOD Single : A 34 THR OG1 : rot -79:sc= -0.2 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 130:sc= 0 USER MOD Single : A 42 THR OG1 : rot 49:sc= 0.917 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.14 USER MOD Single : A 53 HIS : no HD1:sc= -0.0897 X(o=-0.09,f=-0.31) USER MOD Single : A 54 ASN : amide:sc= -7.03! C(o=-7!,f=-4.7!) USER MOD Single : A 56 SER OG : rot 74:sc= 0.376 USER MOD Single : A 58 ASN : amide:sc= -4.82! C(o=-4.8!,f=-5.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.664 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.65) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.091 3.394 -6.197 1.00 0.00 N ATOM 80 CA TYR A 6 8.617 2.401 -7.197 1.00 0.00 C ATOM 81 C TYR A 6 7.545 3.054 -8.062 1.00 0.00 C ATOM 82 O TYR A 6 6.824 3.924 -7.615 1.00 0.00 O ATOM 83 CB TYR A 6 8.021 1.191 -6.475 1.00 0.00 C ATOM 84 CG TYR A 6 9.069 0.566 -5.589 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.368 0.373 -6.071 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.739 0.175 -4.286 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.337 -0.213 -5.249 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.707 -0.410 -3.466 1.00 0.00 C ATOM 89 CZ TYR A 6 11.009 -0.605 -3.948 1.00 0.00 C ATOM 90 OH TYR A 6 11.968 -1.187 -3.146 1.00 0.00 O ATOM 0 HA TYR A 6 9.450 2.072 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.161 1.497 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.662 0.462 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.623 0.676 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.736 0.326 -3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.340 -0.363 -5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.452 -0.712 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 6 12.401 -0.497 -2.600 1.00 0.00 H new ATOM 100 N SER A 7 7.418 2.646 -9.294 1.00 0.00 N ATOM 101 CA SER A 7 6.374 3.260 -10.154 1.00 0.00 C ATOM 102 C SER A 7 5.067 3.260 -9.369 1.00 0.00 C ATOM 103 O SER A 7 4.970 2.648 -8.329 1.00 0.00 O ATOM 104 CB SER A 7 6.207 2.436 -11.432 1.00 0.00 C ATOM 105 OG SER A 7 7.119 2.905 -12.416 1.00 0.00 O ATOM 0 H SER A 7 7.985 1.923 -9.737 1.00 0.00 H new ATOM 0 HA SER A 7 6.655 4.276 -10.430 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.389 1.381 -11.225 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.184 2.517 -11.800 1.00 0.00 H new ATOM 0 HG SER A 7 7.016 2.378 -13.236 1.00 0.00 H new ATOM 111 N TYR A 8 4.062 3.936 -9.835 1.00 0.00 N ATOM 112 CA TYR A 8 2.789 3.944 -9.070 1.00 0.00 C ATOM 113 C TYR A 8 1.951 2.721 -9.455 1.00 0.00 C ATOM 114 O TYR A 8 0.785 2.621 -9.128 1.00 0.00 O ATOM 115 CB TYR A 8 2.035 5.239 -9.349 1.00 0.00 C ATOM 116 CG TYR A 8 2.857 6.388 -8.813 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.298 6.367 -7.483 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.190 7.463 -9.644 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.070 7.422 -6.984 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.965 8.518 -9.145 1.00 0.00 C ATOM 121 CZ TYR A 8 4.404 8.498 -7.815 1.00 0.00 C ATOM 122 OH TYR A 8 5.167 9.538 -7.324 1.00 0.00 O ATOM 0 H TYR A 8 4.063 4.477 -10.700 1.00 0.00 H new ATOM 0 HA TYR A 8 2.997 3.892 -8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.867 5.358 -10.419 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.055 5.218 -8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.042 5.536 -6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.850 7.480 -10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.408 7.406 -5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.224 9.347 -9.786 1.00 0.00 H new ATOM 0 HH TYR A 8 5.309 10.202 -8.031 1.00 0.00 H new ATOM 132 N ALA A 9 2.557 1.777 -10.124 1.00 0.00 N ATOM 133 CA ALA A 9 1.835 0.533 -10.512 1.00 0.00 C ATOM 134 C ALA A 9 2.587 -0.662 -9.911 1.00 0.00 C ATOM 135 O ALA A 9 2.001 -1.651 -9.525 1.00 0.00 O ATOM 136 CB ALA A 9 1.795 0.413 -12.035 1.00 0.00 C ATOM 0 H ALA A 9 3.532 1.816 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 9 0.811 0.557 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.266 -0.498 -12.314 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.278 1.276 -12.455 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.813 0.376 -12.424 1.00 0.00 H new ATOM 142 N GLN A 10 3.885 -0.548 -9.798 1.00 0.00 N ATOM 143 CA GLN A 10 4.704 -1.633 -9.187 1.00 0.00 C ATOM 144 C GLN A 10 4.759 -1.350 -7.693 1.00 0.00 C ATOM 145 O GLN A 10 4.743 -2.240 -6.867 1.00 0.00 O ATOM 146 CB GLN A 10 6.117 -1.598 -9.778 1.00 0.00 C ATOM 147 CG GLN A 10 7.028 -2.551 -9.004 1.00 0.00 C ATOM 148 CD GLN A 10 8.436 -1.958 -8.922 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.851 -1.491 -7.880 1.00 0.00 O ATOM 150 NE2 GLN A 10 9.193 -1.956 -9.985 1.00 0.00 N ATOM 0 H GLN A 10 4.418 0.264 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 10 4.275 -2.616 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.088 -1.883 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.514 -0.584 -9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.632 -2.715 -8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.059 -3.522 -9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.845 -2.348 -10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.133 -1.562 -9.941 1.00 0.00 H new ATOM 159 N LEU A 11 4.779 -0.091 -7.354 1.00 0.00 N ATOM 160 CA LEU A 11 4.785 0.310 -5.927 1.00 0.00 C ATOM 161 C LEU A 11 3.526 -0.266 -5.290 1.00 0.00 C ATOM 162 O LEU A 11 3.540 -0.798 -4.198 1.00 0.00 O ATOM 163 CB LEU A 11 4.745 1.838 -5.858 1.00 0.00 C ATOM 164 CG LEU A 11 4.809 2.301 -4.410 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.223 2.777 -4.107 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.834 3.460 -4.210 1.00 0.00 C ATOM 0 H LEU A 11 4.792 0.684 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 11 5.673 -0.053 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.581 2.257 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.832 2.207 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 11 4.543 1.480 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.280 3.111 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.924 1.957 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.478 3.604 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.876 3.796 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.107 4.283 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.822 3.129 -4.444 1.00 0.00 H new ATOM 178 N ILE A 12 2.438 -0.164 -5.998 1.00 0.00 N ATOM 179 CA ILE A 12 1.145 -0.704 -5.495 1.00 0.00 C ATOM 180 C ILE A 12 1.208 -2.226 -5.431 1.00 0.00 C ATOM 181 O ILE A 12 0.920 -2.822 -4.422 1.00 0.00 O ATOM 182 CB ILE A 12 0.024 -0.322 -6.453 1.00 0.00 C ATOM 183 CG1 ILE A 12 0.251 1.079 -7.046 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.293 -0.347 -5.697 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.632 2.074 -5.950 1.00 0.00 C ATOM 0 H ILE A 12 2.389 0.277 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 12 0.959 -0.291 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 12 0.006 -1.037 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.040 1.038 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.654 1.416 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.105 -0.075 -6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.468 -1.348 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.253 0.365 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.788 3.059 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.170 2.129 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.550 1.745 -5.463 1.00 0.00 H new ATOM 197 N VAL A 13 1.550 -2.864 -6.512 1.00 0.00 N ATOM 198 CA VAL A 13 1.588 -4.351 -6.506 1.00 0.00 C ATOM 199 C VAL A 13 2.418 -4.847 -5.326 1.00 0.00 C ATOM 200 O VAL A 13 2.121 -5.863 -4.741 1.00 0.00 O ATOM 201 CB VAL A 13 2.197 -4.853 -7.809 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.423 -6.362 -7.707 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.230 -4.550 -8.956 1.00 0.00 C ATOM 0 H VAL A 13 1.804 -2.423 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 13 0.572 -4.733 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 13 3.150 -4.358 -7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.859 -6.728 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.101 -6.573 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.470 -6.862 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.656 -4.905 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.281 -5.054 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.064 -3.475 -9.017 1.00 0.00 H new ATOM 213 N GLN A 14 3.443 -4.139 -4.951 1.00 0.00 N ATOM 214 CA GLN A 14 4.249 -4.592 -3.786 1.00 0.00 C ATOM 215 C GLN A 14 3.464 -4.281 -2.514 1.00 0.00 C ATOM 216 O GLN A 14 3.534 -4.989 -1.529 1.00 0.00 O ATOM 217 CB GLN A 14 5.582 -3.849 -3.759 1.00 0.00 C ATOM 218 CG GLN A 14 6.445 -4.405 -2.627 1.00 0.00 C ATOM 219 CD GLN A 14 7.908 -4.070 -2.899 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.782 -4.889 -2.696 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.215 -2.889 -3.356 1.00 0.00 N ATOM 0 H GLN A 14 3.756 -3.275 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 14 4.445 -5.662 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.095 -3.964 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.414 -2.782 -3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.133 -3.979 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.315 -5.485 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.481 -2.201 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.189 -2.652 -3.543 1.00 0.00 H new ATOM 230 N ALA A 15 2.714 -3.216 -2.540 1.00 0.00 N ATOM 231 CA ALA A 15 1.905 -2.823 -1.354 1.00 0.00 C ATOM 232 C ALA A 15 0.836 -3.883 -1.070 1.00 0.00 C ATOM 233 O ALA A 15 0.790 -4.462 -0.003 1.00 0.00 O ATOM 234 CB ALA A 15 1.216 -1.490 -1.649 1.00 0.00 C ATOM 0 H ALA A 15 2.626 -2.593 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 15 2.558 -2.732 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.619 -1.190 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.969 -0.728 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.568 -1.600 -2.518 1.00 0.00 H new ATOM 240 N ILE A 16 -0.033 -4.125 -2.012 1.00 0.00 N ATOM 241 CA ILE A 16 -1.115 -5.132 -1.789 1.00 0.00 C ATOM 242 C ILE A 16 -0.544 -6.553 -1.814 1.00 0.00 C ATOM 243 O ILE A 16 -0.932 -7.398 -1.032 1.00 0.00 O ATOM 244 CB ILE A 16 -2.219 -5.008 -2.856 1.00 0.00 C ATOM 245 CG1 ILE A 16 -1.825 -4.050 -3.985 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.476 -4.456 -2.196 1.00 0.00 C ATOM 247 CD1 ILE A 16 -2.986 -3.950 -4.967 1.00 0.00 C ATOM 0 H ILE A 16 -0.043 -3.671 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.549 -4.934 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.381 -5.999 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.586 -3.066 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.931 -4.411 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.267 -4.363 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.799 -5.133 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.262 -3.476 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.720 -3.271 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.202 -4.937 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.868 -3.571 -4.450 1.00 0.00 H new ATOM 259 N SER A 17 0.365 -6.832 -2.703 1.00 0.00 N ATOM 260 CA SER A 17 0.944 -8.207 -2.766 1.00 0.00 C ATOM 261 C SER A 17 1.567 -8.565 -1.417 1.00 0.00 C ATOM 262 O SER A 17 1.342 -9.631 -0.879 1.00 0.00 O ATOM 263 CB SER A 17 2.024 -8.268 -3.844 1.00 0.00 C ATOM 264 OG SER A 17 3.140 -7.488 -3.436 1.00 0.00 O ATOM 0 H SER A 17 0.733 -6.172 -3.388 1.00 0.00 H new ATOM 0 HA SER A 17 0.149 -8.914 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.329 -9.301 -4.011 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.631 -7.895 -4.790 1.00 0.00 H new ATOM 0 HG SER A 17 2.856 -6.561 -3.292 1.00 0.00 H new ATOM 270 N SER A 18 2.358 -7.685 -0.871 1.00 0.00 N ATOM 271 CA SER A 18 3.003 -7.981 0.442 1.00 0.00 C ATOM 272 C SER A 18 1.996 -7.767 1.571 1.00 0.00 C ATOM 273 O SER A 18 2.267 -8.060 2.719 1.00 0.00 O ATOM 274 CB SER A 18 4.207 -7.059 0.652 1.00 0.00 C ATOM 275 OG SER A 18 5.355 -7.646 0.052 1.00 0.00 O ATOM 0 H SER A 18 2.586 -6.776 -1.274 1.00 0.00 H new ATOM 0 HA SER A 18 3.339 -9.018 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.012 -6.081 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.379 -6.902 1.717 1.00 0.00 H new ATOM 0 HG SER A 18 6.129 -7.059 0.182 1.00 0.00 H new ATOM 281 N ALA A 19 0.830 -7.271 1.259 1.00 0.00 N ATOM 282 CA ALA A 19 -0.187 -7.055 2.323 1.00 0.00 C ATOM 283 C ALA A 19 -0.608 -8.414 2.878 1.00 0.00 C ATOM 284 O ALA A 19 0.067 -9.406 2.686 1.00 0.00 O ATOM 285 CB ALA A 19 -1.406 -6.344 1.732 1.00 0.00 C ATOM 0 H ALA A 19 0.540 -7.007 0.317 1.00 0.00 H new ATOM 0 HA ALA A 19 0.232 -6.440 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.150 -6.187 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.102 -5.381 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.836 -6.957 0.940 1.00 0.00 H new ATOM 291 N GLN A 20 -1.717 -8.478 3.558 1.00 0.00 N ATOM 292 CA GLN A 20 -2.160 -9.786 4.106 1.00 0.00 C ATOM 293 C GLN A 20 -2.514 -10.716 2.938 1.00 0.00 C ATOM 294 O GLN A 20 -1.751 -11.593 2.584 1.00 0.00 O ATOM 295 CB GLN A 20 -3.373 -9.578 5.024 1.00 0.00 C ATOM 296 CG GLN A 20 -4.121 -10.900 5.211 1.00 0.00 C ATOM 297 CD GLN A 20 -4.793 -10.917 6.586 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.664 -11.872 7.326 1.00 0.00 O ATOM 299 NE2 GLN A 20 -5.509 -9.893 6.961 1.00 0.00 N ATOM 0 H GLN A 20 -2.331 -7.688 3.756 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.362 -10.239 4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.046 -9.196 5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.040 -8.831 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.869 -11.021 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.429 -11.737 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.617 -9.091 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.961 -9.894 7.876 1.00 0.00 H new ATOM 308 N ASP A 21 -3.652 -10.530 2.326 1.00 0.00 N ATOM 309 CA ASP A 21 -4.029 -11.400 1.178 1.00 0.00 C ATOM 310 C ASP A 21 -3.548 -10.755 -0.127 1.00 0.00 C ATOM 311 O ASP A 21 -2.594 -11.197 -0.735 1.00 0.00 O ATOM 312 CB ASP A 21 -5.550 -11.569 1.143 1.00 0.00 C ATOM 313 CG ASP A 21 -5.958 -12.701 2.088 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.276 -13.713 2.098 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.945 -12.537 2.785 1.00 0.00 O ATOM 0 H ASP A 21 -4.336 -9.814 2.572 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.562 -12.379 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.037 -10.640 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.879 -11.792 0.128 1.00 0.00 H new ATOM 320 N ARG A 22 -4.205 -9.711 -0.558 1.00 0.00 N ATOM 321 CA ARG A 22 -3.796 -9.027 -1.819 1.00 0.00 C ATOM 322 C ARG A 22 -4.757 -7.863 -2.094 1.00 0.00 C ATOM 323 O ARG A 22 -5.036 -7.526 -3.231 1.00 0.00 O ATOM 324 CB ARG A 22 -3.849 -10.022 -2.982 1.00 0.00 C ATOM 325 CG ARG A 22 -5.181 -10.773 -2.952 1.00 0.00 C ATOM 326 CD ARG A 22 -5.969 -10.466 -4.227 1.00 0.00 C ATOM 327 NE ARG A 22 -7.369 -10.103 -3.868 1.00 0.00 N ATOM 328 CZ ARG A 22 -8.069 -10.895 -3.104 1.00 0.00 C ATOM 329 NH1 ARG A 22 -8.104 -12.175 -3.351 1.00 0.00 N ATOM 330 NH2 ARG A 22 -8.732 -10.408 -2.091 1.00 0.00 N ATOM 0 H ARG A 22 -5.012 -9.301 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.779 -8.647 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.738 -9.496 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.021 -10.727 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.004 -11.845 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.758 -10.477 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.497 -9.648 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.964 -11.333 -4.888 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.779 -9.237 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.584 -12.556 -4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.651 -12.795 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.703 -9.407 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.279 -11.028 -1.494 1.00 0.00 H new ATOM 344 N GLN A 23 -5.268 -7.252 -1.059 1.00 0.00 N ATOM 345 CA GLN A 23 -6.215 -6.118 -1.250 1.00 0.00 C ATOM 346 C GLN A 23 -5.851 -4.988 -0.289 1.00 0.00 C ATOM 347 O GLN A 23 -5.356 -5.222 0.796 1.00 0.00 O ATOM 348 CB GLN A 23 -7.638 -6.593 -0.951 1.00 0.00 C ATOM 349 CG GLN A 23 -7.739 -7.003 0.519 1.00 0.00 C ATOM 350 CD GLN A 23 -8.990 -7.856 0.725 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.010 -8.735 1.563 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.045 -7.631 -0.010 1.00 0.00 N ATOM 0 H GLN A 23 -5.069 -7.491 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.154 -5.760 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.352 -5.798 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.894 -7.436 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.851 -7.563 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.781 -6.117 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.028 -6.893 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.886 -8.193 0.119 1.00 0.00 H new ATOM 361 N LEU A 24 -6.089 -3.764 -0.672 1.00 0.00 N ATOM 362 CA LEU A 24 -5.752 -2.635 0.229 1.00 0.00 C ATOM 363 C LEU A 24 -6.828 -1.557 0.145 1.00 0.00 C ATOM 364 O LEU A 24 -7.460 -1.364 -0.880 1.00 0.00 O ATOM 365 CB LEU A 24 -4.419 -2.021 -0.195 1.00 0.00 C ATOM 366 CG LEU A 24 -3.265 -2.766 0.480 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.938 -2.302 -0.121 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.272 -2.466 1.982 1.00 0.00 C ATOM 0 H LEU A 24 -6.501 -3.501 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.687 -3.012 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.313 -2.073 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.391 -0.966 0.078 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.384 -3.838 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.116 -2.832 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.930 -2.512 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.821 -1.230 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.450 -2.997 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.153 -1.394 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.218 -2.794 2.414 1.00 0.00 H new ATOM 380 N THR A 25 -7.018 -0.827 1.205 1.00 0.00 N ATOM 381 CA THR A 25 -8.017 0.267 1.178 1.00 0.00 C ATOM 382 C THR A 25 -7.348 1.470 0.522 1.00 0.00 C ATOM 383 O THR A 25 -6.201 1.403 0.126 1.00 0.00 O ATOM 384 CB THR A 25 -8.442 0.618 2.607 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.363 1.262 3.276 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.829 -0.662 3.353 1.00 0.00 C ATOM 0 H THR A 25 -6.523 -0.943 2.089 1.00 0.00 H new ATOM 0 HA THR A 25 -8.907 -0.031 0.623 1.00 0.00 H new ATOM 0 HB THR A 25 -9.300 1.290 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.634 1.489 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.132 -0.413 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.657 -1.148 2.837 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.974 -1.338 3.384 1.00 0.00 H new ATOM 394 N LEU A 26 -8.028 2.568 0.393 1.00 0.00 N ATOM 395 CA LEU A 26 -7.376 3.744 -0.248 1.00 0.00 C ATOM 396 C LEU A 26 -6.159 4.158 0.583 1.00 0.00 C ATOM 397 O LEU A 26 -5.122 4.503 0.054 1.00 0.00 O ATOM 398 CB LEU A 26 -8.358 4.914 -0.342 1.00 0.00 C ATOM 399 CG LEU A 26 -8.108 5.667 -1.647 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.279 6.611 -1.928 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.817 6.480 -1.525 1.00 0.00 C ATOM 0 H LEU A 26 -8.992 2.706 0.697 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.062 3.473 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.384 4.548 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.230 5.583 0.509 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.015 4.953 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.099 7.147 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.199 6.033 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.374 7.326 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.637 7.018 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.912 7.193 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.982 5.809 -1.327 1.00 0.00 H new ATOM 413 N SER A 27 -6.282 4.133 1.883 1.00 0.00 N ATOM 414 CA SER A 27 -5.137 4.530 2.753 1.00 0.00 C ATOM 415 C SER A 27 -4.407 3.288 3.274 1.00 0.00 C ATOM 416 O SER A 27 -3.895 3.282 4.377 1.00 0.00 O ATOM 417 CB SER A 27 -5.668 5.329 3.938 1.00 0.00 C ATOM 418 OG SER A 27 -5.941 6.661 3.525 1.00 0.00 O ATOM 0 H SER A 27 -7.127 3.854 2.381 1.00 0.00 H new ATOM 0 HA SER A 27 -4.440 5.133 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.574 4.864 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.937 5.330 4.747 1.00 0.00 H new ATOM 0 HG SER A 27 -6.284 7.175 4.285 1.00 0.00 H new ATOM 424 N GLY A 28 -4.341 2.242 2.500 1.00 0.00 N ATOM 425 CA GLY A 28 -3.627 1.018 2.970 1.00 0.00 C ATOM 426 C GLY A 28 -2.244 0.999 2.333 1.00 0.00 C ATOM 427 O GLY A 28 -1.234 0.808 2.980 1.00 0.00 O ATOM 0 H GLY A 28 -4.747 2.179 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.545 1.020 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.185 0.123 2.694 1.00 0.00 H new ATOM 431 N ILE A 29 -2.218 1.211 1.056 1.00 0.00 N ATOM 432 CA ILE A 29 -0.950 1.232 0.295 1.00 0.00 C ATOM 433 C ILE A 29 0.005 2.246 0.903 1.00 0.00 C ATOM 434 O ILE A 29 1.211 2.094 0.864 1.00 0.00 O ATOM 435 CB ILE A 29 -1.294 1.654 -1.120 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.078 1.551 -2.012 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.786 3.098 -1.130 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.481 2.046 -3.387 1.00 0.00 C ATOM 0 H ILE A 29 -3.050 1.376 0.490 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.471 0.253 0.315 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.076 0.992 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.742 2.149 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.274 0.521 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.031 3.392 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.675 3.184 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.005 3.751 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.374 1.986 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.291 1.427 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.816 3.081 -3.317 1.00 0.00 H new ATOM 450 N TYR A 30 -0.534 3.284 1.451 1.00 0.00 N ATOM 451 CA TYR A 30 0.318 4.336 2.058 1.00 0.00 C ATOM 452 C TYR A 30 0.966 3.799 3.329 1.00 0.00 C ATOM 453 O TYR A 30 2.164 3.873 3.497 1.00 0.00 O ATOM 454 CB TYR A 30 -0.555 5.554 2.349 1.00 0.00 C ATOM 455 CG TYR A 30 -1.312 5.882 1.084 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.681 5.718 -0.153 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.637 6.322 1.138 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.367 5.995 -1.338 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.327 6.596 -0.049 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.692 6.433 -1.286 1.00 0.00 C ATOM 461 OH TYR A 30 -3.375 6.699 -2.453 1.00 0.00 O ATOM 0 H TYR A 30 -1.538 3.455 1.507 1.00 0.00 H new ATOM 0 HA TYR A 30 1.117 4.628 1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.246 5.344 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.058 6.400 2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.342 5.375 -0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.127 6.450 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.874 5.871 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.352 6.934 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.636 7.643 -2.471 1.00 0.00 H new ATOM 471 N ALA A 31 0.198 3.238 4.213 1.00 0.00 N ATOM 472 CA ALA A 31 0.794 2.681 5.456 1.00 0.00 C ATOM 473 C ALA A 31 1.704 1.502 5.092 1.00 0.00 C ATOM 474 O ALA A 31 2.527 1.075 5.878 1.00 0.00 O ATOM 475 CB ALA A 31 -0.321 2.200 6.386 1.00 0.00 C ATOM 0 H ALA A 31 -0.814 3.140 4.131 1.00 0.00 H new ATOM 0 HA ALA A 31 1.377 3.451 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.116 1.792 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.971 3.038 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.904 1.427 5.885 1.00 0.00 H new ATOM 481 N HIS A 32 1.558 0.968 3.906 1.00 0.00 N ATOM 482 CA HIS A 32 2.408 -0.185 3.490 1.00 0.00 C ATOM 483 C HIS A 32 3.807 0.306 3.091 1.00 0.00 C ATOM 484 O HIS A 32 4.768 0.138 3.815 1.00 0.00 O ATOM 485 CB HIS A 32 1.749 -0.885 2.300 1.00 0.00 C ATOM 486 CG HIS A 32 2.578 -2.071 1.894 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.099 -3.368 1.980 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.857 -2.175 1.404 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.075 -4.189 1.552 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.168 -3.513 1.189 1.00 0.00 N ATOM 0 H HIS A 32 0.885 1.283 3.207 1.00 0.00 H new ATOM 0 HA HIS A 32 2.506 -0.882 4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.742 -1.206 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.653 -0.192 1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.520 -1.344 1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.985 -5.264 1.507 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.043 -3.896 0.831 1.00 0.00 H new ATOM 498 N ILE A 33 3.921 0.903 1.936 1.00 0.00 N ATOM 499 CA ILE A 33 5.244 1.410 1.459 1.00 0.00 C ATOM 500 C ILE A 33 5.856 2.359 2.495 1.00 0.00 C ATOM 501 O ILE A 33 7.044 2.355 2.724 1.00 0.00 O ATOM 502 CB ILE A 33 5.023 2.145 0.134 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.338 2.188 -0.661 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.506 3.564 0.390 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.193 3.380 -0.220 1.00 0.00 C ATOM 0 H ILE A 33 3.145 1.064 1.293 1.00 0.00 H new ATOM 0 HA ILE A 33 5.934 0.578 1.317 1.00 0.00 H new ATOM 0 HB ILE A 33 4.274 1.609 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.891 1.261 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.123 2.262 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.354 4.073 -0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.561 3.515 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.235 4.115 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.120 3.395 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.644 4.306 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.424 3.289 0.841 1.00 0.00 H new ATOM 517 N THR A 34 5.061 3.176 3.118 1.00 0.00 N ATOM 518 CA THR A 34 5.625 4.128 4.125 1.00 0.00 C ATOM 519 C THR A 34 6.367 3.357 5.222 1.00 0.00 C ATOM 520 O THR A 34 7.315 3.850 5.801 1.00 0.00 O ATOM 521 CB THR A 34 4.498 4.941 4.761 1.00 0.00 C ATOM 522 OG1 THR A 34 3.545 4.058 5.336 1.00 0.00 O ATOM 523 CG2 THR A 34 3.826 5.808 3.695 1.00 0.00 C ATOM 0 H THR A 34 4.052 3.231 2.980 1.00 0.00 H new ATOM 0 HA THR A 34 6.320 4.798 3.619 1.00 0.00 H new ATOM 0 HB THR A 34 4.907 5.585 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.961 3.705 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.023 6.387 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.561 6.486 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.415 5.170 2.913 1.00 0.00 H new ATOM 531 N LYS A 35 5.948 2.159 5.521 1.00 0.00 N ATOM 532 CA LYS A 35 6.640 1.379 6.588 1.00 0.00 C ATOM 533 C LYS A 35 7.834 0.627 5.994 1.00 0.00 C ATOM 534 O LYS A 35 8.903 0.589 6.570 1.00 0.00 O ATOM 535 CB LYS A 35 5.665 0.376 7.204 1.00 0.00 C ATOM 536 CG LYS A 35 5.315 0.814 8.626 1.00 0.00 C ATOM 537 CD LYS A 35 4.163 -0.044 9.156 1.00 0.00 C ATOM 538 CE LYS A 35 4.714 -1.380 9.657 1.00 0.00 C ATOM 539 NZ LYS A 35 3.632 -2.128 10.359 1.00 0.00 N ATOM 0 H LYS A 35 5.161 1.687 5.076 1.00 0.00 H new ATOM 0 HA LYS A 35 6.994 2.065 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.761 0.313 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.110 -0.619 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.186 0.713 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.032 1.867 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.649 0.476 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.429 -0.213 8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.093 -1.967 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.552 -1.210 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.004 -3.037 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.290 -1.568 11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.846 -2.301 9.700 1.00 0.00 H new ATOM 553 N HIS A 36 7.660 0.022 4.851 1.00 0.00 N ATOM 554 CA HIS A 36 8.786 -0.733 4.233 1.00 0.00 C ATOM 555 C HIS A 36 9.676 0.219 3.431 1.00 0.00 C ATOM 556 O HIS A 36 10.628 -0.194 2.798 1.00 0.00 O ATOM 557 CB HIS A 36 8.226 -1.816 3.309 1.00 0.00 C ATOM 558 CG HIS A 36 8.160 -3.119 4.056 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.180 -4.055 4.002 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.204 -3.654 4.885 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.819 -5.093 4.777 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.623 -4.901 5.339 1.00 0.00 N ATOM 0 H HIS A 36 6.789 0.018 4.320 1.00 0.00 H new ATOM 0 HA HIS A 36 9.381 -1.197 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.233 -1.534 2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.858 -1.921 2.427 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.269 -3.179 5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.423 -5.975 4.927 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.124 -5.532 5.966 1.00 0.00 H new ATOM 570 N TYR A 37 9.386 1.490 3.459 1.00 0.00 N ATOM 571 CA TYR A 37 10.226 2.459 2.703 1.00 0.00 C ATOM 572 C TYR A 37 10.493 3.685 3.588 1.00 0.00 C ATOM 573 O TYR A 37 9.567 4.335 4.031 1.00 0.00 O ATOM 574 CB TYR A 37 9.492 2.880 1.426 1.00 0.00 C ATOM 575 CG TYR A 37 10.301 2.464 0.235 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.289 1.127 -0.155 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.063 3.399 -0.470 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.037 0.712 -1.252 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.818 2.986 -1.570 1.00 0.00 C ATOM 580 CZ TYR A 37 11.808 1.641 -1.964 1.00 0.00 C ATOM 581 OH TYR A 37 12.555 1.234 -3.050 1.00 0.00 O ATOM 0 H TYR A 37 8.605 1.899 3.972 1.00 0.00 H new ATOM 0 HA TYR A 37 11.175 1.998 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.505 2.418 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.339 3.959 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.697 0.411 0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.068 4.435 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.024 -0.325 -1.555 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.410 3.704 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 37 11.997 0.692 -3.646 1.00 0.00 H new ATOM 591 N PRO A 38 11.753 3.956 3.837 1.00 0.00 N ATOM 592 CA PRO A 38 12.165 5.089 4.686 1.00 0.00 C ATOM 593 C PRO A 38 12.056 6.414 3.925 1.00 0.00 C ATOM 594 O PRO A 38 12.232 7.476 4.488 1.00 0.00 O ATOM 595 CB PRO A 38 13.625 4.772 5.025 1.00 0.00 C ATOM 596 CG PRO A 38 14.131 3.810 3.924 1.00 0.00 C ATOM 597 CD PRO A 38 12.881 3.169 3.294 1.00 0.00 C ATOM 0 HA PRO A 38 11.539 5.204 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.224 5.682 5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.704 4.311 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.710 4.349 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.787 3.048 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.914 3.220 2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.796 2.116 3.562 1.00 0.00 H new ATOM 605 N TYR A 39 11.765 6.365 2.655 1.00 0.00 N ATOM 606 CA TYR A 39 11.646 7.629 1.878 1.00 0.00 C ATOM 607 C TYR A 39 10.193 8.112 1.910 1.00 0.00 C ATOM 608 O TYR A 39 9.924 9.297 1.922 1.00 0.00 O ATOM 609 CB TYR A 39 12.071 7.383 0.428 1.00 0.00 C ATOM 610 CG TYR A 39 12.203 8.706 -0.291 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.070 9.498 -0.512 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.457 9.142 -0.734 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.190 10.723 -1.175 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.577 10.369 -1.399 1.00 0.00 C ATOM 615 CZ TYR A 39 12.443 11.159 -1.619 1.00 0.00 C ATOM 616 OH TYR A 39 12.564 12.367 -2.276 1.00 0.00 O ATOM 0 H TYR A 39 11.605 5.509 2.124 1.00 0.00 H new ATOM 0 HA TYR A 39 12.292 8.388 2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.020 6.847 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.336 6.755 -0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.102 9.162 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.332 8.532 -0.563 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.315 11.333 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.544 10.705 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 39 13.503 12.517 -2.514 1.00 0.00 H new ATOM 626 N TYR A 40 9.257 7.204 1.913 1.00 0.00 N ATOM 627 CA TYR A 40 7.822 7.609 1.932 1.00 0.00 C ATOM 628 C TYR A 40 7.329 7.734 3.375 1.00 0.00 C ATOM 629 O TYR A 40 6.154 7.919 3.622 1.00 0.00 O ATOM 630 CB TYR A 40 6.992 6.557 1.193 1.00 0.00 C ATOM 631 CG TYR A 40 6.809 6.966 -0.254 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.622 7.957 -0.822 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.817 6.353 -1.027 1.00 0.00 C ATOM 634 CE1 TYR A 40 7.440 8.331 -2.159 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.639 6.726 -2.365 1.00 0.00 C ATOM 636 CZ TYR A 40 6.450 7.715 -2.931 1.00 0.00 C ATOM 637 OH TYR A 40 6.272 8.085 -4.248 1.00 0.00 O ATOM 0 H TYR A 40 9.423 6.198 1.903 1.00 0.00 H new ATOM 0 HA TYR A 40 7.714 8.575 1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.488 5.588 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.020 6.445 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.389 8.432 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.188 5.591 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.065 9.096 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.874 6.249 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 40 6.254 7.285 -4.813 1.00 0.00 H new ATOM 647 N ARG A 41 8.211 7.645 4.332 1.00 0.00 N ATOM 648 CA ARG A 41 7.774 7.774 5.750 1.00 0.00 C ATOM 649 C ARG A 41 7.214 9.181 5.967 1.00 0.00 C ATOM 650 O ARG A 41 6.274 9.381 6.711 1.00 0.00 O ATOM 651 CB ARG A 41 8.971 7.551 6.676 1.00 0.00 C ATOM 652 CG ARG A 41 9.998 8.664 6.461 1.00 0.00 C ATOM 653 CD ARG A 41 11.224 8.404 7.337 1.00 0.00 C ATOM 654 NE ARG A 41 10.974 8.931 8.708 1.00 0.00 N ATOM 655 CZ ARG A 41 11.945 9.482 9.382 1.00 0.00 C ATOM 656 NH1 ARG A 41 12.795 8.733 10.031 1.00 0.00 N ATOM 657 NH2 ARG A 41 12.069 10.781 9.405 1.00 0.00 N ATOM 0 H ARG A 41 9.210 7.489 4.195 1.00 0.00 H new ATOM 0 HA ARG A 41 7.007 7.032 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.643 7.540 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.424 6.580 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.290 8.706 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.559 9.631 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.434 7.335 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.102 8.885 6.905 1.00 0.00 H new ATOM 0 HE ARG A 41 10.043 8.861 9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.699 7.718 10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.555 9.163 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.406 11.366 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.829 11.212 9.932 1.00 0.00 H new ATOM 671 N THR A 42 7.785 10.156 5.315 1.00 0.00 N ATOM 672 CA THR A 42 7.294 11.555 5.466 1.00 0.00 C ATOM 673 C THR A 42 7.284 12.226 4.091 1.00 0.00 C ATOM 674 O THR A 42 8.222 12.900 3.713 1.00 0.00 O ATOM 675 CB THR A 42 8.227 12.324 6.403 1.00 0.00 C ATOM 676 OG1 THR A 42 9.553 12.274 5.895 1.00 0.00 O ATOM 677 CG2 THR A 42 8.190 11.694 7.797 1.00 0.00 C ATOM 0 H THR A 42 8.575 10.043 4.680 1.00 0.00 H new ATOM 0 HA THR A 42 6.287 11.552 5.884 1.00 0.00 H new ATOM 0 HB THR A 42 7.900 13.362 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.548 12.510 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.856 12.244 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.173 11.733 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.515 10.655 7.736 1.00 0.00 H new ATOM 685 N ALA A 43 6.238 12.036 3.335 1.00 0.00 N ATOM 686 CA ALA A 43 6.180 12.652 1.980 1.00 0.00 C ATOM 687 C ALA A 43 4.972 13.587 1.881 1.00 0.00 C ATOM 688 O ALA A 43 4.319 13.885 2.860 1.00 0.00 O ATOM 689 CB ALA A 43 6.052 11.548 0.930 1.00 0.00 C ATOM 0 H ALA A 43 5.423 11.482 3.596 1.00 0.00 H new ATOM 0 HA ALA A 43 7.091 13.225 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.009 11.994 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.914 10.884 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.141 10.977 1.111 1.00 0.00 H new ATOM 695 N ASP A 44 4.676 14.050 0.697 1.00 0.00 N ATOM 696 CA ASP A 44 3.514 14.966 0.516 1.00 0.00 C ATOM 697 C ASP A 44 2.342 14.185 -0.083 1.00 0.00 C ATOM 698 O ASP A 44 2.466 13.021 -0.413 1.00 0.00 O ATOM 699 CB ASP A 44 3.912 16.094 -0.438 1.00 0.00 C ATOM 700 CG ASP A 44 5.041 16.917 0.184 1.00 0.00 C ATOM 701 OD1 ASP A 44 5.955 16.317 0.727 1.00 0.00 O ATOM 702 OD2 ASP A 44 4.973 18.133 0.109 1.00 0.00 O ATOM 0 H ASP A 44 5.191 13.832 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 44 3.219 15.384 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.234 15.679 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.052 16.732 -0.641 1.00 0.00 H new ATOM 707 N LYS A 45 1.206 14.811 -0.229 1.00 0.00 N ATOM 708 CA LYS A 45 0.033 14.100 -0.811 1.00 0.00 C ATOM 709 C LYS A 45 0.109 14.156 -2.339 1.00 0.00 C ATOM 710 O LYS A 45 -0.708 14.779 -2.989 1.00 0.00 O ATOM 711 CB LYS A 45 -1.257 14.775 -0.341 1.00 0.00 C ATOM 712 CG LYS A 45 -1.246 14.901 1.183 1.00 0.00 C ATOM 713 CD LYS A 45 -2.684 14.965 1.701 1.00 0.00 C ATOM 714 CE LYS A 45 -2.694 14.740 3.214 1.00 0.00 C ATOM 715 NZ LYS A 45 -3.735 13.732 3.561 1.00 0.00 N ATOM 0 H LYS A 45 1.040 15.784 0.030 1.00 0.00 H new ATOM 0 HA LYS A 45 0.040 13.060 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.350 15.761 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.121 14.193 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.727 14.051 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.701 15.797 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.124 15.934 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.294 14.209 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.715 14.396 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.895 15.679 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.741 13.579 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.668 14.077 3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.524 12.835 3.079 1.00 0.00 H new ATOM 729 N GLY A 46 1.081 13.507 -2.920 1.00 0.00 N ATOM 730 CA GLY A 46 1.205 13.521 -4.406 1.00 0.00 C ATOM 731 C GLY A 46 0.899 12.123 -4.946 1.00 0.00 C ATOM 732 O GLY A 46 -0.122 11.895 -5.562 1.00 0.00 O ATOM 0 H GLY A 46 1.795 12.968 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.516 14.249 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.211 13.825 -4.697 1.00 0.00 H new ATOM 736 N TRP A 47 1.782 11.189 -4.724 1.00 0.00 N ATOM 737 CA TRP A 47 1.551 9.805 -5.222 1.00 0.00 C ATOM 738 C TRP A 47 0.270 9.236 -4.626 1.00 0.00 C ATOM 739 O TRP A 47 -0.453 8.518 -5.280 1.00 0.00 O ATOM 740 CB TRP A 47 2.717 8.906 -4.818 1.00 0.00 C ATOM 741 CG TRP A 47 2.780 8.768 -3.324 1.00 0.00 C ATOM 742 CD1 TRP A 47 2.973 9.787 -2.452 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.668 7.560 -2.514 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.014 9.281 -1.169 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.831 7.915 -1.152 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.452 6.204 -2.821 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.788 6.963 -0.137 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.406 5.243 -1.799 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.579 5.623 -0.462 1.00 0.00 C ATOM 0 H TRP A 47 2.657 11.326 -4.217 1.00 0.00 H new ATOM 0 HA TRP A 47 1.466 9.841 -6.308 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.602 7.923 -5.276 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.652 9.324 -5.191 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.078 10.828 -2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.162 9.849 -0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.321 5.901 -3.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.915 7.260 0.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.236 4.205 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.550 4.877 0.318 1.00 0.00 H new ATOM 760 N GLN A 48 -0.017 9.526 -3.389 1.00 0.00 N ATOM 761 CA GLN A 48 -1.252 8.964 -2.787 1.00 0.00 C ATOM 762 C GLN A 48 -2.449 9.317 -3.692 1.00 0.00 C ATOM 763 O GLN A 48 -3.441 8.618 -3.732 1.00 0.00 O ATOM 764 CB GLN A 48 -1.422 9.506 -1.344 1.00 0.00 C ATOM 765 CG GLN A 48 -2.728 10.300 -1.176 1.00 0.00 C ATOM 766 CD GLN A 48 -2.693 11.547 -2.058 1.00 0.00 C ATOM 767 OE1 GLN A 48 -3.710 12.173 -2.284 1.00 0.00 O ATOM 768 NE2 GLN A 48 -1.560 11.941 -2.569 1.00 0.00 N ATOM 0 H GLN A 48 0.543 10.120 -2.777 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.191 7.878 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.411 8.673 -0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.575 10.145 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.581 9.677 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.859 10.585 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.706 11.417 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.528 12.774 -3.157 1.00 0.00 H new ATOM 777 N ASN A 49 -2.348 10.392 -4.432 1.00 0.00 N ATOM 778 CA ASN A 49 -3.455 10.786 -5.349 1.00 0.00 C ATOM 779 C ASN A 49 -3.439 9.868 -6.566 1.00 0.00 C ATOM 780 O ASN A 49 -4.408 9.204 -6.875 1.00 0.00 O ATOM 781 CB ASN A 49 -3.256 12.235 -5.802 1.00 0.00 C ATOM 782 CG ASN A 49 -4.216 13.145 -5.035 1.00 0.00 C ATOM 783 OD1 ASN A 49 -5.374 12.820 -4.863 1.00 0.00 O ATOM 784 ND2 ASN A 49 -3.779 14.279 -4.562 1.00 0.00 N ATOM 0 H ASN A 49 -1.541 11.016 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.410 10.700 -4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.226 12.544 -5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.435 12.320 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.409 14.894 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.807 14.551 -4.707 1.00 0.00 H new ATOM 791 N SER A 50 -2.333 9.830 -7.256 1.00 0.00 N ATOM 792 CA SER A 50 -2.229 8.959 -8.456 1.00 0.00 C ATOM 793 C SER A 50 -2.355 7.495 -8.034 1.00 0.00 C ATOM 794 O SER A 50 -2.484 6.616 -8.857 1.00 0.00 O ATOM 795 CB SER A 50 -0.875 9.178 -9.136 1.00 0.00 C ATOM 796 OG SER A 50 -0.254 10.337 -8.594 1.00 0.00 O ATOM 0 H SER A 50 -1.494 10.368 -7.038 1.00 0.00 H new ATOM 0 HA SER A 50 -3.028 9.209 -9.154 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.236 8.307 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.011 9.294 -10.211 1.00 0.00 H new ATOM 0 HG SER A 50 0.614 10.476 -9.028 1.00 0.00 H new ATOM 802 N ILE A 51 -2.325 7.229 -6.756 1.00 0.00 N ATOM 803 CA ILE A 51 -2.449 5.822 -6.278 1.00 0.00 C ATOM 804 C ILE A 51 -3.905 5.378 -6.439 1.00 0.00 C ATOM 805 O ILE A 51 -4.207 4.526 -7.241 1.00 0.00 O ATOM 806 CB ILE A 51 -2.024 5.750 -4.791 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.495 5.563 -4.629 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.721 4.573 -4.099 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.177 5.116 -5.933 1.00 0.00 C ATOM 0 H ILE A 51 -2.220 7.928 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.804 5.163 -6.859 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.314 6.697 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.050 6.500 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.302 4.824 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.415 4.532 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.801 4.706 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.443 3.643 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.248 4.999 -5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.247 4.165 -6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.009 5.867 -6.705 1.00 0.00 H new ATOM 821 N ARG A 52 -4.809 5.948 -5.689 1.00 0.00 N ATOM 822 CA ARG A 52 -6.239 5.543 -5.821 1.00 0.00 C ATOM 823 C ARG A 52 -6.640 5.591 -7.296 1.00 0.00 C ATOM 824 O ARG A 52 -7.398 4.770 -7.773 1.00 0.00 O ATOM 825 CB ARG A 52 -7.121 6.509 -5.025 1.00 0.00 C ATOM 826 CG ARG A 52 -8.592 6.138 -5.225 1.00 0.00 C ATOM 827 CD ARG A 52 -9.470 7.362 -4.958 1.00 0.00 C ATOM 828 NE ARG A 52 -10.899 6.943 -4.904 1.00 0.00 N ATOM 829 CZ ARG A 52 -11.815 7.791 -4.524 1.00 0.00 C ATOM 830 NH1 ARG A 52 -12.044 7.980 -3.254 1.00 0.00 N ATOM 831 NH2 ARG A 52 -12.503 8.448 -5.416 1.00 0.00 N ATOM 0 H ARG A 52 -4.622 6.672 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.369 4.532 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.864 6.465 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.945 7.533 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.752 5.778 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.868 5.326 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.182 7.832 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.327 8.105 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.161 5.992 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.507 7.465 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.760 8.643 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.325 8.299 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.219 9.111 -5.121 1.00 0.00 H new ATOM 845 N HIS A 53 -6.133 6.550 -8.017 1.00 0.00 N ATOM 846 CA HIS A 53 -6.473 6.667 -9.462 1.00 0.00 C ATOM 847 C HIS A 53 -5.735 5.585 -10.250 1.00 0.00 C ATOM 848 O HIS A 53 -6.190 5.123 -11.278 1.00 0.00 O ATOM 849 CB HIS A 53 -6.025 8.044 -9.962 1.00 0.00 C ATOM 850 CG HIS A 53 -6.943 8.510 -11.058 1.00 0.00 C ATOM 851 ND1 HIS A 53 -8.311 8.632 -10.874 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.704 8.892 -12.354 1.00 0.00 C ATOM 853 CE1 HIS A 53 -8.839 9.069 -12.032 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.903 9.245 -12.968 1.00 0.00 N ATOM 0 H HIS A 53 -5.493 7.263 -7.666 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.548 6.547 -9.600 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.032 8.760 -9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.000 7.992 -10.330 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.733 8.915 -12.826 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.892 9.255 -12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.037 9.568 -13.926 1.00 0.00 H new ATOM 862 N ASN A 54 -4.585 5.195 -9.781 1.00 0.00 N ATOM 863 CA ASN A 54 -3.785 4.163 -10.493 1.00 0.00 C ATOM 864 C ASN A 54 -4.435 2.782 -10.374 1.00 0.00 C ATOM 865 O ASN A 54 -4.441 2.020 -11.318 1.00 0.00 O ATOM 866 CB ASN A 54 -2.381 4.113 -9.886 1.00 0.00 C ATOM 867 CG ASN A 54 -1.428 4.961 -10.732 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.433 4.874 -11.945 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.605 5.784 -10.141 1.00 0.00 N ATOM 0 H ASN A 54 -4.160 5.551 -8.925 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.735 4.430 -11.549 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.403 4.484 -8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.028 3.083 -9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.033 6.354 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.600 5.858 -9.124 1.00 0.00 H new ATOM 876 N LEU A 55 -4.956 2.426 -9.227 1.00 0.00 N ATOM 877 CA LEU A 55 -5.559 1.069 -9.101 1.00 0.00 C ATOM 878 C LEU A 55 -6.919 1.045 -9.803 1.00 0.00 C ATOM 879 O LEU A 55 -7.586 0.030 -9.848 1.00 0.00 O ATOM 880 CB LEU A 55 -5.728 0.638 -7.625 1.00 0.00 C ATOM 881 CG LEU A 55 -4.668 1.258 -6.700 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.368 1.561 -7.452 1.00 0.00 C ATOM 883 CD2 LEU A 55 -5.234 2.532 -6.074 1.00 0.00 C ATOM 0 H LEU A 55 -4.989 3.005 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.878 0.361 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.720 0.926 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.671 -0.449 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.426 0.538 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.644 1.998 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.964 0.637 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.571 2.263 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.487 2.977 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.493 3.240 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.126 2.289 -5.497 1.00 0.00 H new ATOM 895 N SER A 56 -7.337 2.154 -10.353 1.00 0.00 N ATOM 896 CA SER A 56 -8.653 2.191 -11.050 1.00 0.00 C ATOM 897 C SER A 56 -8.463 1.863 -12.533 1.00 0.00 C ATOM 898 O SER A 56 -9.146 1.024 -13.086 1.00 0.00 O ATOM 899 CB SER A 56 -9.259 3.588 -10.917 1.00 0.00 C ATOM 900 OG SER A 56 -9.013 4.082 -9.607 1.00 0.00 O ATOM 0 H SER A 56 -6.823 3.035 -10.349 1.00 0.00 H new ATOM 0 HA SER A 56 -9.319 1.456 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.824 4.258 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.331 3.552 -11.110 1.00 0.00 H new ATOM 0 HG SER A 56 -8.069 4.331 -9.523 1.00 0.00 H new ATOM 906 N LEU A 57 -7.548 2.530 -13.182 1.00 0.00 N ATOM 907 CA LEU A 57 -7.320 2.274 -14.631 1.00 0.00 C ATOM 908 C LEU A 57 -6.267 1.178 -14.812 1.00 0.00 C ATOM 909 O LEU A 57 -6.184 0.558 -15.855 1.00 0.00 O ATOM 910 CB LEU A 57 -6.827 3.560 -15.290 1.00 0.00 C ATOM 911 CG LEU A 57 -5.532 4.012 -14.616 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.396 4.019 -15.640 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.718 5.422 -14.051 1.00 0.00 C ATOM 0 H LEU A 57 -6.947 3.243 -12.769 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.253 1.950 -15.091 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.658 3.395 -16.354 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.585 4.339 -15.205 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.285 3.324 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.473 4.342 -15.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.263 3.015 -16.043 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.641 4.706 -16.450 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.795 5.746 -13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.965 6.109 -14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.526 5.417 -13.320 1.00 0.00 H new ATOM 925 N ASN A 58 -5.457 0.941 -13.816 1.00 0.00 N ATOM 926 CA ASN A 58 -4.403 -0.111 -13.941 1.00 0.00 C ATOM 927 C ASN A 58 -4.996 -1.349 -14.619 1.00 0.00 C ATOM 928 O ASN A 58 -6.196 -1.475 -14.763 1.00 0.00 O ATOM 929 CB ASN A 58 -3.867 -0.491 -12.556 1.00 0.00 C ATOM 930 CG ASN A 58 -2.510 0.183 -12.337 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.568 -0.449 -11.902 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.369 1.449 -12.620 1.00 0.00 N ATOM 0 H ASN A 58 -5.478 1.429 -12.921 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.582 0.279 -14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.570 -0.179 -11.783 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.765 -1.573 -12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.469 1.907 -12.476 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.159 1.981 -12.985 1.00 0.00 H new ATOM 939 N ARG A 59 -4.167 -2.255 -15.053 1.00 0.00 N ATOM 940 CA ARG A 59 -4.691 -3.468 -15.742 1.00 0.00 C ATOM 941 C ARG A 59 -4.963 -4.589 -14.734 1.00 0.00 C ATOM 942 O ARG A 59 -5.928 -5.318 -14.860 1.00 0.00 O ATOM 943 CB ARG A 59 -3.666 -3.946 -16.772 1.00 0.00 C ATOM 944 CG ARG A 59 -4.135 -5.269 -17.382 1.00 0.00 C ATOM 945 CD ARG A 59 -3.912 -5.243 -18.895 1.00 0.00 C ATOM 946 NE ARG A 59 -4.584 -4.047 -19.478 1.00 0.00 N ATOM 947 CZ ARG A 59 -5.874 -3.896 -19.352 1.00 0.00 C ATOM 948 NH1 ARG A 59 -6.688 -4.758 -19.898 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.351 -2.881 -18.681 1.00 0.00 N ATOM 0 H ARG A 59 -3.152 -2.210 -14.962 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.627 -3.213 -16.238 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.543 -3.196 -17.554 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.693 -4.076 -16.299 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.588 -6.100 -16.938 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.191 -5.429 -17.162 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.845 -5.217 -19.115 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.308 -6.152 -19.347 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.035 -3.346 -19.976 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.316 -5.549 -20.423 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.696 -4.640 -19.800 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.715 -2.207 -18.256 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.359 -2.763 -18.583 1.00 0.00 H new ATOM 963 N TYR A 60 -4.129 -4.751 -13.743 1.00 0.00 N ATOM 964 CA TYR A 60 -4.373 -5.849 -12.760 1.00 0.00 C ATOM 965 C TYR A 60 -5.109 -5.322 -11.535 1.00 0.00 C ATOM 966 O TYR A 60 -5.744 -6.066 -10.824 1.00 0.00 O ATOM 967 CB TYR A 60 -3.053 -6.475 -12.303 1.00 0.00 C ATOM 968 CG TYR A 60 -1.920 -5.476 -12.393 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.992 -4.241 -11.730 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.788 -5.794 -13.148 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.930 -3.333 -11.833 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.271 -4.891 -13.248 1.00 0.00 C ATOM 973 CZ TYR A 60 0.201 -3.658 -12.592 1.00 0.00 C ATOM 974 OH TYR A 60 1.246 -2.763 -12.693 1.00 0.00 O ATOM 0 H TYR A 60 -3.301 -4.181 -13.571 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.982 -6.603 -13.259 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.150 -6.829 -11.277 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.826 -7.345 -12.920 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.863 -3.991 -11.142 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.732 -6.745 -13.657 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.984 -2.381 -11.326 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.144 -5.144 -13.831 1.00 0.00 H new ATOM 0 HH TYR A 60 1.951 -3.146 -13.255 1.00 0.00 H new ATOM 984 N PHE A 61 -5.029 -4.060 -11.262 1.00 0.00 N ATOM 985 CA PHE A 61 -5.720 -3.542 -10.056 1.00 0.00 C ATOM 986 C PHE A 61 -7.216 -3.424 -10.342 1.00 0.00 C ATOM 987 O PHE A 61 -7.637 -3.283 -11.473 1.00 0.00 O ATOM 988 CB PHE A 61 -5.120 -2.192 -9.681 1.00 0.00 C ATOM 989 CG PHE A 61 -3.725 -2.421 -9.145 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.486 -3.455 -8.230 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.664 -1.619 -9.578 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.192 -3.678 -7.752 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.372 -1.847 -9.100 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.137 -2.877 -8.188 1.00 0.00 C ATOM 0 H PHE A 61 -4.521 -3.368 -11.813 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.587 -4.225 -9.217 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.089 -1.536 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.738 -1.698 -8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.301 -4.079 -7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.844 -0.822 -10.284 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.009 -4.472 -7.044 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.555 -1.226 -9.436 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.137 -3.054 -7.820 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.020 -3.520 -9.322 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.492 -3.457 -9.518 1.00 0.00 C ATOM 1006 C ILE A 62 -10.130 -2.630 -8.399 1.00 0.00 C ATOM 1007 O ILE A 62 -9.470 -2.219 -7.465 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.064 -4.889 -9.496 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.159 -5.413 -8.056 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.148 -5.828 -10.288 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.566 -5.960 -7.806 1.00 0.00 C ATOM 0 H ILE A 62 -7.718 -3.640 -8.355 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.713 -2.987 -10.476 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.058 -4.861 -9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.418 -6.196 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.938 -4.612 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.558 -6.838 -10.268 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.079 -5.484 -11.320 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.155 -5.831 -9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.635 -6.333 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.297 -5.165 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.770 -6.773 -8.503 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.410 -2.399 -8.479 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.097 -1.613 -7.417 1.00 0.00 C ATOM 1025 C LYS A 63 -13.315 -2.397 -6.924 1.00 0.00 C ATOM 1026 O LYS A 63 -14.000 -3.044 -7.691 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.547 -0.266 -7.984 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.530 0.812 -7.604 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.173 1.798 -6.629 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.055 2.780 -7.401 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.020 4.111 -6.734 1.00 0.00 N ATOM 0 H LYS A 63 -12.012 -2.722 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.412 -1.439 -6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.639 -0.328 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.531 -0.006 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.652 0.354 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.189 1.337 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.769 1.260 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.401 2.339 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.705 2.868 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.079 2.409 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.620 4.778 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.373 4.021 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.042 4.465 -6.716 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.587 -2.352 -5.649 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.756 -3.103 -5.112 1.00 0.00 C ATOM 1047 C VAL A 64 -15.833 -2.118 -4.643 1.00 0.00 C ATOM 1048 O VAL A 64 -15.759 -1.602 -3.545 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.306 -3.963 -3.931 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -15.401 -4.976 -3.590 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.023 -4.708 -4.305 1.00 0.00 C ATOM 0 H VAL A 64 -13.051 -1.828 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.167 -3.740 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.120 -3.325 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.080 -5.589 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.317 -4.447 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.588 -5.615 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.700 -5.322 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.211 -5.346 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.242 -3.988 -4.549 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.835 -0.314 -0.965 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.757 -1.339 -0.906 1.00 0.00 C ATOM 1220 C PHE A 76 -11.401 -1.786 -2.322 1.00 0.00 C ATOM 1221 O PHE A 76 -12.173 -2.445 -2.991 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.234 -2.544 -0.097 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.116 -3.016 0.800 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.820 -3.145 0.289 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.374 -3.324 2.141 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.781 -3.580 1.119 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.335 -3.759 2.972 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.038 -3.887 2.460 1.00 0.00 C ATOM 0 HA PHE A 76 -10.877 -0.909 -0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.105 -2.274 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.542 -3.347 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.622 -2.909 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.375 -3.226 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.780 -3.679 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.533 -3.996 4.007 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.236 -4.223 3.100 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.235 -1.435 -2.784 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.820 -1.839 -4.156 1.00 0.00 C ATOM 1240 C TRP A 77 -8.697 -2.883 -4.034 1.00 0.00 C ATOM 1241 O TRP A 77 -7.876 -2.808 -3.142 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.313 -0.596 -4.894 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.029 -0.181 -4.277 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.879 0.757 -3.316 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.713 -0.700 -4.558 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.538 0.842 -2.989 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.780 -0.038 -3.733 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.250 -1.676 -5.450 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.425 -0.342 -3.789 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -4.891 -1.982 -5.514 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -3.980 -1.317 -4.684 1.00 0.00 C ATOM 0 H TRP A 77 -9.548 -0.884 -2.269 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.654 -2.270 -4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.173 -0.814 -5.953 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.044 0.210 -4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.673 1.342 -2.877 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.157 1.476 -2.286 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.949 -2.194 -6.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.724 0.170 -3.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.540 -2.734 -6.205 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -2.929 -1.559 -4.736 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.653 -3.866 -4.901 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.573 -4.900 -4.781 1.00 0.00 C ATOM 1264 C ARG A 78 -7.101 -5.362 -6.156 1.00 0.00 C ATOM 1265 O ARG A 78 -7.763 -5.169 -7.150 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.105 -6.110 -4.024 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.366 -6.630 -4.715 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.214 -7.410 -3.710 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.414 -8.803 -4.201 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.122 -9.024 -5.276 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.051 -8.179 -5.632 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -10.901 -10.090 -5.994 1.00 0.00 N ATOM 0 H ARG A 78 -9.305 -3.998 -5.674 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.736 -4.451 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.347 -6.893 -3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.329 -5.837 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.940 -5.798 -5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.096 -7.271 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.723 -7.423 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.178 -6.920 -3.574 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.997 -9.585 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.224 -7.345 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.603 -8.352 -6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.175 -10.751 -5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.454 -10.263 -6.834 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.961 -5.997 -6.206 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.435 -6.494 -7.515 1.00 0.00 C ATOM 1288 C ILE A 79 -5.987 -7.893 -7.791 1.00 0.00 C ATOM 1289 O ILE A 79 -6.415 -8.591 -6.894 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.903 -6.536 -7.491 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.384 -6.878 -8.890 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.421 -7.595 -6.505 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.149 -6.034 -9.197 1.00 0.00 C ATOM 0 H ILE A 79 -5.370 -6.194 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.754 -5.815 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.526 -5.561 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.137 -7.938 -8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.159 -6.690 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.331 -7.615 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.787 -7.356 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.800 -8.572 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.780 -6.278 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.411 -4.977 -9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.373 -6.244 -8.461 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.985 -8.303 -9.030 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.509 -9.647 -9.374 1.00 0.00 C ATOM 1307 C ASP A 80 -5.654 -10.709 -8.684 1.00 0.00 C ATOM 1308 O ASP A 80 -4.453 -10.560 -8.576 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.451 -9.846 -10.891 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.870 -9.834 -11.465 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.788 -9.541 -10.715 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -8.014 -10.116 -12.642 1.00 0.00 O ATOM 0 H ASP A 80 -5.640 -7.758 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.543 -9.735 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.856 -9.056 -11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.961 -10.791 -11.126 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.300 -11.747 -8.232 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.627 -12.853 -7.537 1.00 0.00 C ATOM 1319 C PRO A 81 -4.959 -13.792 -8.548 1.00 0.00 C ATOM 1320 O PRO A 81 -4.047 -14.524 -8.219 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.769 -13.558 -6.800 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.073 -13.179 -7.546 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.761 -11.915 -8.370 1.00 0.00 C ATOM 0 HA PRO A 81 -4.835 -12.523 -6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.622 -14.638 -6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.812 -13.242 -5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.398 -13.993 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.882 -12.991 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.051 -12.038 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.300 -11.048 -7.989 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.410 -13.780 -9.772 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.805 -14.675 -10.799 1.00 0.00 C ATOM 1333 C ALA A 82 -3.660 -13.958 -11.518 1.00 0.00 C ATOM 1334 O ALA A 82 -2.800 -14.585 -12.105 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.875 -15.076 -11.817 1.00 0.00 C ATOM 0 H ALA A 82 -6.171 -13.189 -10.106 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.412 -15.565 -10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.435 -15.731 -12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.683 -15.601 -11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.270 -14.183 -12.300 1.00 0.00 H new ATOM 1341 N SER A 83 -3.632 -12.656 -11.478 1.00 0.00 N ATOM 1342 CA SER A 83 -2.532 -11.923 -12.162 1.00 0.00 C ATOM 1343 C SER A 83 -1.523 -11.456 -11.120 1.00 0.00 C ATOM 1344 O SER A 83 -0.474 -10.955 -11.446 1.00 0.00 O ATOM 1345 CB SER A 83 -3.097 -10.705 -12.901 1.00 0.00 C ATOM 1346 OG SER A 83 -3.165 -10.991 -14.292 1.00 0.00 O ATOM 0 H SER A 83 -4.319 -12.070 -11.004 1.00 0.00 H new ATOM 0 HA SER A 83 -2.048 -12.584 -12.880 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.088 -10.461 -12.519 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.465 -9.834 -12.727 1.00 0.00 H new ATOM 0 HG SER A 83 -3.528 -10.215 -14.768 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.836 -11.608 -9.865 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.896 -11.152 -8.807 1.00 0.00 C ATOM 1354 C GLU A 84 0.450 -11.865 -8.940 1.00 0.00 C ATOM 1355 O GLU A 84 1.487 -11.267 -8.754 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.500 -11.447 -7.430 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.540 -10.978 -6.335 1.00 0.00 C ATOM 1358 CD GLU A 84 -1.266 -10.976 -4.988 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.363 -12.035 -4.389 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -1.714 -9.918 -4.579 1.00 0.00 O ATOM 0 H GLU A 84 -2.702 -12.028 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.734 -10.080 -8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.460 -10.941 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.691 -12.515 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.328 -11.635 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.171 -9.978 -6.563 1.00 0.00 H new ATOM 1367 N ALA A 85 0.454 -13.129 -9.258 1.00 0.00 N ATOM 1368 CA ALA A 85 1.757 -13.844 -9.391 1.00 0.00 C ATOM 1369 C ALA A 85 2.554 -13.238 -10.552 1.00 0.00 C ATOM 1370 O ALA A 85 3.758 -13.377 -10.630 1.00 0.00 O ATOM 1371 CB ALA A 85 1.504 -15.328 -9.663 1.00 0.00 C ATOM 0 H ALA A 85 -0.377 -13.694 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 85 2.324 -13.739 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.457 -15.848 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.938 -15.758 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.936 -15.437 -10.587 1.00 0.00 H new ATOM 1377 N LYS A 86 1.886 -12.568 -11.450 1.00 0.00 N ATOM 1378 CA LYS A 86 2.598 -11.953 -12.608 1.00 0.00 C ATOM 1379 C LYS A 86 3.075 -10.544 -12.236 1.00 0.00 C ATOM 1380 O LYS A 86 4.251 -10.244 -12.293 1.00 0.00 O ATOM 1381 CB LYS A 86 1.644 -11.868 -13.804 1.00 0.00 C ATOM 1382 CG LYS A 86 2.341 -11.159 -14.967 1.00 0.00 C ATOM 1383 CD LYS A 86 1.564 -9.891 -15.334 1.00 0.00 C ATOM 1384 CE LYS A 86 2.511 -8.882 -15.986 1.00 0.00 C ATOM 1385 NZ LYS A 86 1.720 -7.744 -16.534 1.00 0.00 N ATOM 0 H LYS A 86 0.877 -12.419 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 86 3.460 -12.567 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.335 -12.868 -14.107 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.741 -11.327 -13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.364 -10.904 -14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.400 -11.824 -15.829 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.750 -10.135 -16.017 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.112 -9.458 -14.442 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.233 -8.519 -15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.079 -9.362 -16.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.362 -7.057 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.048 -8.098 -17.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.197 -7.281 -15.763 1.00 0.00 H new ATOM 1399 N LEU A 87 2.172 -9.674 -11.865 1.00 0.00 N ATOM 1400 CA LEU A 87 2.580 -8.283 -11.502 1.00 0.00 C ATOM 1401 C LEU A 87 3.676 -8.316 -10.453 1.00 0.00 C ATOM 1402 O LEU A 87 4.733 -7.739 -10.618 1.00 0.00 O ATOM 1403 CB LEU A 87 1.394 -7.495 -10.932 1.00 0.00 C ATOM 1404 CG LEU A 87 0.366 -8.432 -10.287 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.009 -7.914 -8.893 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.897 -8.454 -11.150 1.00 0.00 C ATOM 0 H LEU A 87 1.172 -9.865 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 87 2.939 -7.797 -12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.752 -6.778 -10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.919 -6.921 -11.728 1.00 0.00 H new ATOM 0 HG LEU A 87 0.783 -9.436 -10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.722 -8.580 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.907 -7.880 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.413 -6.912 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.634 -9.118 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.309 -7.447 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.649 -8.812 -12.149 1.00 0.00 H new ATOM 1418 N VAL A 88 3.420 -8.970 -9.370 1.00 0.00 N ATOM 1419 CA VAL A 88 4.422 -9.044 -8.285 1.00 0.00 C ATOM 1420 C VAL A 88 5.823 -9.245 -8.859 1.00 0.00 C ATOM 1421 O VAL A 88 6.803 -8.793 -8.302 1.00 0.00 O ATOM 1422 CB VAL A 88 4.088 -10.230 -7.418 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.758 -9.993 -6.697 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.985 -11.470 -8.307 1.00 0.00 C ATOM 0 H VAL A 88 2.547 -9.465 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 88 4.403 -8.116 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 88 4.867 -10.373 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.524 -10.855 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.836 -9.103 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.966 -9.852 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.743 -12.338 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.201 -11.321 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.937 -11.636 -8.812 1.00 0.00 H new ATOM 1434 N GLU A 89 5.929 -9.929 -9.962 1.00 0.00 N ATOM 1435 CA GLU A 89 7.275 -10.158 -10.558 1.00 0.00 C ATOM 1436 C GLU A 89 7.949 -8.803 -10.748 1.00 0.00 C ATOM 1437 O GLU A 89 9.033 -8.564 -10.255 1.00 0.00 O ATOM 1438 CB GLU A 89 7.124 -10.856 -11.912 1.00 0.00 C ATOM 1439 CG GLU A 89 8.506 -11.086 -12.528 1.00 0.00 C ATOM 1440 CD GLU A 89 8.371 -11.966 -13.773 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.118 -11.422 -14.834 1.00 0.00 O ATOM 1442 OE2 GLU A 89 8.523 -13.170 -13.643 1.00 0.00 O ATOM 0 H GLU A 89 5.148 -10.338 -10.475 1.00 0.00 H new ATOM 0 HA GLU A 89 7.877 -10.788 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.608 -11.808 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.514 -10.248 -12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.961 -10.132 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.164 -11.563 -11.802 1.00 0.00 H new ATOM 1449 N GLN A 90 7.302 -7.903 -11.432 1.00 0.00 N ATOM 1450 CA GLN A 90 7.895 -6.554 -11.622 1.00 0.00 C ATOM 1451 C GLN A 90 7.937 -5.853 -10.263 1.00 0.00 C ATOM 1452 O GLN A 90 8.656 -4.892 -10.068 1.00 0.00 O ATOM 1453 CB GLN A 90 7.029 -5.747 -12.592 1.00 0.00 C ATOM 1454 CG GLN A 90 7.054 -6.411 -13.971 1.00 0.00 C ATOM 1455 CD GLN A 90 5.778 -6.052 -14.735 1.00 0.00 C ATOM 1456 OE1 GLN A 90 5.689 -4.997 -15.331 1.00 0.00 O ATOM 1457 NE2 GLN A 90 4.780 -6.893 -14.745 1.00 0.00 N ATOM 0 H GLN A 90 6.390 -8.044 -11.867 1.00 0.00 H new ATOM 0 HA GLN A 90 8.901 -6.637 -12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.005 -5.691 -12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.399 -4.724 -12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.930 -6.080 -14.529 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.134 -7.493 -13.864 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.854 -7.779 -14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.926 -6.664 -15.253 1.00 0.00 H new ATOM 1466 N ALA A 91 7.169 -6.334 -9.319 1.00 0.00 N ATOM 1467 CA ALA A 91 7.159 -5.704 -7.968 1.00 0.00 C ATOM 1468 C ALA A 91 8.538 -5.850 -7.320 1.00 0.00 C ATOM 1469 O ALA A 91 9.024 -4.949 -6.665 1.00 0.00 O ATOM 1470 CB ALA A 91 6.106 -6.372 -7.088 1.00 0.00 C ATOM 0 H ALA A 91 6.549 -7.136 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 91 6.918 -4.646 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.106 -5.905 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.123 -6.256 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.336 -7.433 -6.987 1.00 0.00 H new ATOM 1476 N PHE A 92 9.176 -6.975 -7.499 1.00 0.00 N ATOM 1477 CA PHE A 92 10.523 -7.168 -6.893 1.00 0.00 C ATOM 1478 C PHE A 92 11.593 -6.650 -7.856 1.00 0.00 C ATOM 1479 O PHE A 92 12.520 -7.355 -8.204 1.00 0.00 O ATOM 1480 CB PHE A 92 10.764 -8.657 -6.630 1.00 0.00 C ATOM 1481 CG PHE A 92 9.480 -9.310 -6.177 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.622 -8.636 -5.301 1.00 0.00 C ATOM 1483 CD2 PHE A 92 9.150 -10.593 -6.631 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.433 -9.245 -4.880 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.963 -11.202 -6.209 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.104 -10.528 -5.333 1.00 0.00 C ATOM 0 H PHE A 92 8.823 -7.766 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 92 10.575 -6.619 -5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.129 -9.141 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.534 -8.781 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.876 -7.647 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.812 -11.113 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.770 -8.724 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.710 -12.192 -6.559 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.188 -10.998 -5.007 1.00 0.00 H new ATOM 1496 N ARG A 93 11.476 -5.426 -8.291 1.00 0.00 N ATOM 1497 CA ARG A 93 12.491 -4.874 -9.231 1.00 0.00 C ATOM 1498 C ARG A 93 12.866 -3.452 -8.808 1.00 0.00 C ATOM 1499 O ARG A 93 12.451 -2.974 -7.770 1.00 0.00 O ATOM 1500 CB ARG A 93 11.913 -4.849 -10.647 1.00 0.00 C ATOM 1501 CG ARG A 93 12.443 -6.049 -11.435 1.00 0.00 C ATOM 1502 CD ARG A 93 13.662 -5.622 -12.253 1.00 0.00 C ATOM 1503 NE ARG A 93 14.101 -6.754 -13.115 1.00 0.00 N ATOM 1504 CZ ARG A 93 15.292 -7.266 -12.964 1.00 0.00 C ATOM 1505 NH1 ARG A 93 16.342 -6.491 -12.988 1.00 0.00 N ATOM 1506 NH2 ARG A 93 15.433 -8.551 -12.788 1.00 0.00 N ATOM 0 H ARG A 93 10.724 -4.786 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 93 13.381 -5.503 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.824 -4.878 -10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.189 -3.921 -11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.713 -6.855 -10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.666 -6.437 -12.094 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.416 -4.756 -12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.472 -5.321 -11.589 1.00 0.00 H new ATOM 0 HE ARG A 93 13.471 -7.129 -13.824 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.231 -5.486 -13.125 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.273 -6.890 -12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.612 -9.156 -12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.364 -8.950 -12.670 1.00 0.00 H new ATOM 1520 N LYS A 94 13.648 -2.774 -9.602 1.00 0.00 N ATOM 1521 CA LYS A 94 14.050 -1.385 -9.244 1.00 0.00 C ATOM 1522 C LYS A 94 13.519 -0.409 -10.296 1.00 0.00 C ATOM 1523 O LYS A 94 13.153 -0.796 -11.389 1.00 0.00 O ATOM 1524 CB LYS A 94 15.578 -1.294 -9.194 1.00 0.00 C ATOM 1525 CG LYS A 94 16.053 -1.454 -7.748 1.00 0.00 C ATOM 1526 CD LYS A 94 17.438 -0.822 -7.592 1.00 0.00 C ATOM 1527 CE LYS A 94 17.983 -1.121 -6.195 1.00 0.00 C ATOM 1528 NZ LYS A 94 19.471 -1.189 -6.244 1.00 0.00 N ATOM 0 H LYS A 94 14.026 -3.122 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 94 13.635 -1.129 -8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.020 -2.069 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.909 -0.335 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.346 -0.979 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.092 -2.510 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.116 -1.215 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.377 0.255 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.667 -0.346 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.577 -2.064 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.841 -1.392 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.763 -1.943 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.849 -0.279 -6.575 1.00 0.00 H new