USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 21 CYS SG : rot -173:sc= 0.938 USER MOD Set 1.2: A 67 CYS SG : rot -21:sc= 1.21 USER MOD Single : A 7 SER OG : rot 180:sc= 0.479 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.65 K(o=0.65,f=-5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.037 K(o=-0.037,f=-1.3!) USER MOD Single : A 22 GLN : amide:sc= 1.82 K(o=1.8,f=-6.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.469 USER MOD Single : A 31 THR OG1 : rot -73:sc= 0.989 USER MOD Single : A 32 GLN : amide:sc= 0.854 K(o=0.85,f=-0.15) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 46 HIS : no HE2:sc= 0.254 K(o=0.25,f=-4.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 52 TYR OH : rot -47:sc= 0.333 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.2) USER MOD Single : A 59 SER OG : rot 109:sc= 0.63 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 6.655 -14.968 -5.607 1.00 0.00 N ATOM 56 CA LEU A 6 6.773 -14.145 -4.408 1.00 0.00 C ATOM 57 C LEU A 6 5.487 -14.168 -3.594 1.00 0.00 C ATOM 58 O LEU A 6 4.404 -14.404 -4.133 1.00 0.00 O ATOM 59 CB LEU A 6 7.137 -12.703 -4.790 1.00 0.00 C ATOM 60 CG LEU A 6 8.441 -12.549 -5.584 1.00 0.00 C ATOM 61 CD1 LEU A 6 8.620 -11.099 -6.013 1.00 0.00 C ATOM 62 CD2 LEU A 6 9.614 -13.008 -4.732 1.00 0.00 C ATOM 0 HA LEU A 6 7.568 -14.561 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.321 -12.282 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.213 -12.110 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 6 8.397 -13.168 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.548 -10.998 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.781 -10.799 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.660 -10.461 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.539 -12.898 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.667 -12.401 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.478 -14.054 -4.459 1.00 0.00 H new ATOM 74 N SER A 7 5.610 -13.922 -2.295 1.00 0.00 N ATOM 75 CA SER A 7 4.446 -13.750 -1.433 1.00 0.00 C ATOM 76 C SER A 7 3.807 -12.384 -1.640 1.00 0.00 C ATOM 77 O SER A 7 4.404 -11.492 -2.243 1.00 0.00 O ATOM 78 CB SER A 7 4.840 -13.935 0.019 1.00 0.00 C ATOM 79 OG SER A 7 5.586 -12.853 0.505 1.00 0.00 O ATOM 0 H SER A 7 6.506 -13.837 -1.814 1.00 0.00 H new ATOM 0 HA SER A 7 3.710 -14.508 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.942 -14.057 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.421 -14.851 0.122 1.00 0.00 H new ATOM 0 HG SER A 7 5.818 -13.011 1.444 1.00 0.00 H new ATOM 85 N LEU A 8 2.587 -12.224 -1.136 1.00 0.00 N ATOM 86 CA LEU A 8 1.888 -10.947 -1.211 1.00 0.00 C ATOM 87 C LEU A 8 2.596 -9.882 -0.384 1.00 0.00 C ATOM 88 O LEU A 8 2.540 -8.696 -0.705 1.00 0.00 O ATOM 89 CB LEU A 8 0.436 -11.110 -0.741 1.00 0.00 C ATOM 90 CG LEU A 8 -0.444 -11.991 -1.636 1.00 0.00 C ATOM 91 CD1 LEU A 8 -1.831 -12.139 -1.021 1.00 0.00 C ATOM 92 CD2 LEU A 8 -0.533 -11.379 -3.026 1.00 0.00 C ATOM 0 H LEU A 8 2.062 -12.964 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 8 1.890 -10.620 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.441 -11.531 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.019 -10.122 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 8 0.001 -12.983 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.449 -12.766 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.745 -12.601 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.292 -11.156 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.159 -12.007 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.970 -10.383 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.466 -11.309 -3.457 1.00 0.00 H new ATOM 104 N THR A 9 3.262 -10.313 0.682 1.00 0.00 N ATOM 105 CA THR A 9 4.096 -9.419 1.476 1.00 0.00 C ATOM 106 C THR A 9 5.316 -8.960 0.690 1.00 0.00 C ATOM 107 O THR A 9 5.639 -7.772 0.663 1.00 0.00 O ATOM 108 CB THR A 9 4.562 -10.092 2.780 1.00 0.00 C ATOM 109 OG1 THR A 9 3.421 -10.422 3.584 1.00 0.00 O ATOM 110 CG2 THR A 9 5.477 -9.163 3.563 1.00 0.00 C ATOM 0 H THR A 9 3.240 -11.277 1.016 1.00 0.00 H new ATOM 0 HA THR A 9 3.481 -8.554 1.723 1.00 0.00 H new ATOM 0 HB THR A 9 5.112 -10.998 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.718 -10.852 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.796 -9.656 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.351 -8.919 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.940 -8.247 3.810 1.00 0.00 H new ATOM 118 N GLN A 10 5.996 -9.908 0.053 1.00 0.00 N ATOM 119 CA GLN A 10 7.160 -9.597 -0.767 1.00 0.00 C ATOM 120 C GLN A 10 6.777 -8.741 -1.966 1.00 0.00 C ATOM 121 O GLN A 10 7.505 -7.824 -2.344 1.00 0.00 O ATOM 122 CB GLN A 10 7.838 -10.884 -1.244 1.00 0.00 C ATOM 123 CG GLN A 10 8.576 -11.641 -0.153 1.00 0.00 C ATOM 124 CD GLN A 10 8.956 -13.047 -0.579 1.00 0.00 C ATOM 125 OE1 GLN A 10 8.391 -13.598 -1.528 1.00 0.00 O ATOM 126 NE2 GLN A 10 9.917 -13.637 0.123 1.00 0.00 N ATOM 0 H GLN A 10 5.760 -10.900 0.090 1.00 0.00 H new ATOM 0 HA GLN A 10 7.858 -9.032 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.083 -11.539 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.542 -10.637 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.477 -11.092 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.950 -11.691 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.357 -13.144 0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.215 -14.583 -0.115 1.00 0.00 H new ATOM 135 N LEU A 11 5.631 -9.049 -2.565 1.00 0.00 N ATOM 136 CA LEU A 11 5.174 -8.340 -3.754 1.00 0.00 C ATOM 137 C LEU A 11 4.894 -6.874 -3.446 1.00 0.00 C ATOM 138 O LEU A 11 5.323 -5.984 -4.183 1.00 0.00 O ATOM 139 CB LEU A 11 3.918 -9.015 -4.322 1.00 0.00 C ATOM 140 CG LEU A 11 4.162 -10.348 -5.039 1.00 0.00 C ATOM 141 CD1 LEU A 11 2.834 -11.034 -5.331 1.00 0.00 C ATOM 142 CD2 LEU A 11 4.936 -10.101 -6.325 1.00 0.00 C ATOM 0 H LEU A 11 5.002 -9.786 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 11 5.967 -8.381 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.215 -9.183 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.439 -8.328 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 11 4.751 -11.003 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.017 -11.980 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.308 -11.222 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.225 -10.392 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.109 -11.049 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.361 -9.440 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.893 -9.636 -6.090 1.00 0.00 H new ATOM 154 N ILE A 12 4.174 -6.628 -2.358 1.00 0.00 N ATOM 155 CA ILE A 12 3.831 -5.270 -1.956 1.00 0.00 C ATOM 156 C ILE A 12 5.077 -4.476 -1.581 1.00 0.00 C ATOM 157 O ILE A 12 5.245 -3.332 -2.005 1.00 0.00 O ATOM 158 CB ILE A 12 2.852 -5.261 -0.768 1.00 0.00 C ATOM 159 CG1 ILE A 12 1.483 -5.790 -1.201 1.00 0.00 C ATOM 160 CG2 ILE A 12 2.728 -3.859 -0.191 1.00 0.00 C ATOM 161 CD1 ILE A 12 0.539 -6.061 -0.051 1.00 0.00 C ATOM 0 H ILE A 12 3.816 -7.354 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 12 3.349 -4.801 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 12 3.244 -5.917 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.022 -5.068 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.623 -6.710 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.032 -3.871 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.705 -3.519 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.358 -3.181 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.409 -6.433 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.978 -6.807 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.367 -5.139 0.504 1.00 0.00 H new ATOM 173 N LEU A 13 5.946 -5.089 -0.786 1.00 0.00 N ATOM 174 CA LEU A 13 7.146 -4.417 -0.300 1.00 0.00 C ATOM 175 C LEU A 13 8.094 -4.088 -1.447 1.00 0.00 C ATOM 176 O LEU A 13 8.661 -2.997 -1.502 1.00 0.00 O ATOM 177 CB LEU A 13 7.855 -5.288 0.746 1.00 0.00 C ATOM 178 CG LEU A 13 7.118 -5.427 2.085 1.00 0.00 C ATOM 179 CD1 LEU A 13 7.840 -6.429 2.975 1.00 0.00 C ATOM 180 CD2 LEU A 13 7.034 -4.067 2.762 1.00 0.00 C ATOM 0 H LEU A 13 5.842 -6.051 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 13 6.844 -3.479 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.005 -6.283 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.844 -4.870 0.935 1.00 0.00 H new ATOM 0 HG LEU A 13 6.107 -5.794 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.310 -6.521 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.870 -7.400 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.857 -6.084 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.511 -4.166 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.040 -3.686 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.491 -3.374 2.119 1.00 0.00 H new ATOM 192 N ILE A 14 8.263 -5.038 -2.360 1.00 0.00 N ATOM 193 CA ILE A 14 9.131 -4.845 -3.515 1.00 0.00 C ATOM 194 C ILE A 14 8.536 -3.833 -4.487 1.00 0.00 C ATOM 195 O ILE A 14 9.258 -3.035 -5.086 1.00 0.00 O ATOM 196 CB ILE A 14 9.386 -6.170 -4.258 1.00 0.00 C ATOM 197 CG1 ILE A 14 10.257 -7.099 -3.410 1.00 0.00 C ATOM 198 CG2 ILE A 14 10.040 -5.905 -5.606 1.00 0.00 C ATOM 199 CD1 ILE A 14 10.318 -8.518 -3.928 1.00 0.00 C ATOM 0 H ILE A 14 7.809 -5.951 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 14 10.080 -4.465 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 14 8.428 -6.661 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.268 -6.694 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.874 -7.111 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.214 -6.851 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.385 -5.279 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.991 -5.394 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.954 -9.117 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 14 9.314 -8.942 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.730 -8.520 -4.937 1.00 0.00 H new ATOM 211 N ARG A 15 7.218 -3.871 -4.639 1.00 0.00 N ATOM 212 CA ARG A 15 6.514 -2.902 -5.470 1.00 0.00 C ATOM 213 C ARG A 15 6.649 -1.493 -4.908 1.00 0.00 C ATOM 214 O ARG A 15 6.801 -0.526 -5.655 1.00 0.00 O ATOM 215 CB ARG A 15 5.055 -3.278 -5.682 1.00 0.00 C ATOM 216 CG ARG A 15 4.247 -2.276 -6.491 1.00 0.00 C ATOM 217 CD ARG A 15 4.738 -2.069 -7.877 1.00 0.00 C ATOM 218 NE ARG A 15 4.082 -0.987 -8.594 1.00 0.00 N ATOM 219 CZ ARG A 15 4.397 -0.595 -9.844 1.00 0.00 C ATOM 220 NH1 ARG A 15 5.380 -1.164 -10.504 1.00 0.00 N ATOM 221 NH2 ARG A 15 3.707 0.398 -10.380 1.00 0.00 N ATOM 0 H ARG A 15 6.614 -4.564 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 15 6.989 -2.918 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.013 -4.245 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.582 -3.403 -4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.211 -2.612 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.252 -1.319 -5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.809 -1.869 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.604 -2.994 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 15 3.330 -0.490 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.918 -1.915 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.605 -0.855 -11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.960 0.845 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.922 0.717 -11.325 1.00 0.00 H new ATOM 235 N LEU A 16 6.594 -1.381 -3.584 1.00 0.00 N ATOM 236 CA LEU A 16 6.730 -0.093 -2.917 1.00 0.00 C ATOM 237 C LEU A 16 8.193 0.317 -2.804 1.00 0.00 C ATOM 238 O LEU A 16 8.504 1.485 -2.572 1.00 0.00 O ATOM 239 CB LEU A 16 6.082 -0.143 -1.529 1.00 0.00 C ATOM 240 CG LEU A 16 4.556 -0.301 -1.527 1.00 0.00 C ATOM 241 CD1 LEU A 16 4.051 -0.473 -0.100 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.918 0.916 -2.181 1.00 0.00 C ATOM 0 H LEU A 16 6.456 -2.169 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 16 6.217 0.656 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.518 -0.972 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.338 0.771 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 16 4.282 -1.189 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.967 -0.584 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.503 -1.361 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.321 0.403 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.834 0.803 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.191 1.813 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.272 1.005 -3.208 1.00 0.00 H new ATOM 254 N SER A 17 9.088 -0.652 -2.970 1.00 0.00 N ATOM 255 CA SER A 17 10.512 -0.366 -3.099 1.00 0.00 C ATOM 256 C SER A 17 10.819 0.305 -4.432 1.00 0.00 C ATOM 257 O SER A 17 11.652 1.208 -4.505 1.00 0.00 O ATOM 258 CB SER A 17 11.316 -1.642 -2.952 1.00 0.00 C ATOM 259 OG SER A 17 12.693 -1.412 -3.062 1.00 0.00 O ATOM 0 H SER A 17 8.852 -1.643 -3.018 1.00 0.00 H new ATOM 0 HA SER A 17 10.794 0.324 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.101 -2.096 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.006 -2.356 -3.715 1.00 0.00 H new ATOM 0 HG SER A 17 13.175 -2.259 -2.960 1.00 0.00 H new ATOM 265 N ASN A 18 10.143 -0.143 -5.484 1.00 0.00 N ATOM 266 CA ASN A 18 10.306 0.447 -6.808 1.00 0.00 C ATOM 267 C ASN A 18 9.678 1.833 -6.874 1.00 0.00 C ATOM 268 O ASN A 18 10.244 2.753 -7.466 1.00 0.00 O ATOM 269 CB ASN A 18 9.724 -0.445 -7.888 1.00 0.00 C ATOM 270 CG ASN A 18 10.535 -1.683 -8.153 1.00 0.00 C ATOM 271 OD1 ASN A 18 11.732 -1.742 -7.848 1.00 0.00 O ATOM 272 ND2 ASN A 18 9.912 -2.640 -8.793 1.00 0.00 N ATOM 0 H ASN A 18 9.476 -0.914 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 18 11.377 0.544 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.714 -0.738 -7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.638 0.127 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.416 -3.484 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.923 -2.541 -9.021 1.00 0.00 H new ATOM 279 N ARG A 19 8.507 1.977 -6.265 1.00 0.00 N ATOM 280 CA ARG A 19 7.833 3.269 -6.192 1.00 0.00 C ATOM 281 C ARG A 19 7.354 3.561 -4.777 1.00 0.00 C ATOM 282 O ARG A 19 6.654 2.751 -4.168 1.00 0.00 O ATOM 283 CB ARG A 19 6.699 3.381 -7.199 1.00 0.00 C ATOM 284 CG ARG A 19 7.134 3.381 -8.657 1.00 0.00 C ATOM 285 CD ARG A 19 7.888 4.591 -9.070 1.00 0.00 C ATOM 286 NE ARG A 19 8.235 4.631 -10.482 1.00 0.00 N ATOM 287 CZ ARG A 19 9.351 4.093 -11.011 1.00 0.00 C ATOM 288 NH1 ARG A 19 10.247 3.507 -10.250 1.00 0.00 N ATOM 289 NH2 ARG A 19 9.533 4.191 -12.317 1.00 0.00 N ATOM 0 H ARG A 19 8.003 1.214 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 19 8.567 4.029 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.009 2.552 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.145 4.299 -7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.752 2.502 -8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.250 3.285 -9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.295 5.473 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.804 4.652 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 19 7.588 5.099 -11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.103 3.454 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.086 3.105 -10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.838 4.664 -12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.368 3.794 -12.747 1.00 0.00 H new ATOM 303 N GLY A 20 7.733 4.723 -4.257 1.00 0.00 N ATOM 304 CA GLY A 20 7.613 5.000 -2.832 1.00 0.00 C ATOM 305 C GLY A 20 6.194 4.748 -2.339 1.00 0.00 C ATOM 306 O GLY A 20 5.989 4.253 -1.230 1.00 0.00 O ATOM 0 H GLY A 20 8.127 5.489 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.310 4.372 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.890 6.036 -2.636 1.00 0.00 H new ATOM 310 N CYS A 21 5.215 5.091 -3.170 1.00 0.00 N ATOM 311 CA CYS A 21 3.813 5.020 -2.773 1.00 0.00 C ATOM 312 C CYS A 21 2.954 4.435 -3.887 1.00 0.00 C ATOM 313 O CYS A 21 3.050 4.851 -5.042 1.00 0.00 O ATOM 314 CB CYS A 21 3.457 6.487 -2.532 1.00 0.00 C ATOM 315 SG CYS A 21 1.736 6.772 -2.053 1.00 0.00 S ATOM 0 H CYS A 21 5.367 5.421 -4.123 1.00 0.00 H new ATOM 0 HA CYS A 21 3.645 4.380 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.108 6.882 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.667 7.053 -3.440 1.00 0.00 H new ATOM 0 HG CYS A 21 1.505 8.050 -2.006 1.00 0.00 H new ATOM 321 N GLN A 22 2.116 3.468 -3.534 1.00 0.00 N ATOM 322 CA GLN A 22 1.155 2.904 -4.476 1.00 0.00 C ATOM 323 C GLN A 22 -0.238 2.834 -3.868 1.00 0.00 C ATOM 324 O GLN A 22 -0.397 2.869 -2.646 1.00 0.00 O ATOM 325 CB GLN A 22 1.596 1.506 -4.918 1.00 0.00 C ATOM 326 CG GLN A 22 2.823 1.493 -5.815 1.00 0.00 C ATOM 327 CD GLN A 22 2.517 1.972 -7.221 1.00 0.00 C ATOM 328 OE1 GLN A 22 2.255 1.170 -8.120 1.00 0.00 O ATOM 329 NE2 GLN A 22 2.551 3.285 -7.419 1.00 0.00 N ATOM 0 H GLN A 22 2.082 3.057 -2.601 1.00 0.00 H new ATOM 0 HA GLN A 22 1.119 3.561 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.801 0.905 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.770 1.026 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.595 2.126 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.227 0.482 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.773 3.912 -6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.356 3.666 -8.345 1.00 0.00 H new ATOM 338 N THR A 23 -1.249 2.736 -4.724 1.00 0.00 N ATOM 339 CA THR A 23 -2.626 2.576 -4.272 1.00 0.00 C ATOM 340 C THR A 23 -2.981 1.103 -4.105 1.00 0.00 C ATOM 341 O THR A 23 -2.266 0.224 -4.586 1.00 0.00 O ATOM 342 CB THR A 23 -3.623 3.225 -5.249 1.00 0.00 C ATOM 343 OG1 THR A 23 -3.642 2.486 -6.478 1.00 0.00 O ATOM 344 CG2 THR A 23 -3.227 4.666 -5.534 1.00 0.00 C ATOM 0 H THR A 23 -1.140 2.765 -5.738 1.00 0.00 H new ATOM 0 HA THR A 23 -2.700 3.078 -3.307 1.00 0.00 H new ATOM 0 HB THR A 23 -4.614 3.214 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.278 2.899 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.942 5.110 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.223 5.233 -4.603 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.231 4.689 -5.977 1.00 0.00 H new ATOM 352 N LEU A 24 -4.089 0.841 -3.420 1.00 0.00 N ATOM 353 CA LEU A 24 -4.594 -0.519 -3.270 1.00 0.00 C ATOM 354 C LEU A 24 -4.951 -1.124 -4.621 1.00 0.00 C ATOM 355 O LEU A 24 -4.772 -2.323 -4.842 1.00 0.00 O ATOM 356 CB LEU A 24 -5.813 -0.532 -2.340 1.00 0.00 C ATOM 357 CG LEU A 24 -6.402 -1.920 -2.055 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.372 -2.786 -1.344 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.660 -1.775 -1.212 1.00 0.00 C ATOM 0 H LEU A 24 -4.655 1.554 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.805 -1.127 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.532 -0.073 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.591 0.092 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.665 -2.405 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.798 -3.769 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.490 -2.894 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.090 -2.316 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.078 -2.761 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.412 -1.286 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.392 -1.174 -1.751 1.00 0.00 H new ATOM 371 N GLU A 25 -5.457 -0.291 -5.524 1.00 0.00 N ATOM 372 CA GLU A 25 -5.847 -0.744 -6.853 1.00 0.00 C ATOM 373 C GLU A 25 -4.626 -1.074 -7.703 1.00 0.00 C ATOM 374 O GLU A 25 -4.643 -2.022 -8.489 1.00 0.00 O ATOM 375 CB GLU A 25 -6.703 0.314 -7.551 1.00 0.00 C ATOM 376 CG GLU A 25 -8.088 0.501 -6.946 1.00 0.00 C ATOM 377 CD GLU A 25 -8.839 1.610 -7.630 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.273 2.241 -8.489 1.00 0.00 O ATOM 379 OE2 GLU A 25 -10.011 1.753 -7.374 1.00 0.00 O ATOM 0 H GLU A 25 -5.607 0.704 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.436 -1.653 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.176 1.267 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.812 0.041 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.652 -0.428 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.996 0.723 -5.883 1.00 0.00 H new ATOM 386 N GLU A 26 -3.569 -0.284 -7.542 1.00 0.00 N ATOM 387 CA GLU A 26 -2.311 -0.540 -8.232 1.00 0.00 C ATOM 388 C GLU A 26 -1.635 -1.795 -7.696 1.00 0.00 C ATOM 389 O GLU A 26 -1.045 -2.566 -8.454 1.00 0.00 O ATOM 390 CB GLU A 26 -1.372 0.661 -8.095 1.00 0.00 C ATOM 391 CG GLU A 26 -1.771 1.869 -8.930 1.00 0.00 C ATOM 392 CD GLU A 26 -1.030 3.103 -8.495 1.00 0.00 C ATOM 393 OE1 GLU A 26 -0.389 3.059 -7.473 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.011 4.054 -9.240 1.00 0.00 O ATOM 0 H GLU A 26 -3.559 0.539 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.535 -0.697 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.331 0.957 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.366 0.354 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.565 1.671 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.844 2.037 -8.841 1.00 0.00 H new ATOM 401 N LEU A 27 -1.725 -1.998 -6.387 1.00 0.00 N ATOM 402 CA LEU A 27 -1.233 -3.222 -5.764 1.00 0.00 C ATOM 403 C LEU A 27 -2.109 -4.414 -6.125 1.00 0.00 C ATOM 404 O LEU A 27 -1.629 -5.544 -6.217 1.00 0.00 O ATOM 405 CB LEU A 27 -1.166 -3.052 -4.241 1.00 0.00 C ATOM 406 CG LEU A 27 -0.087 -2.081 -3.740 1.00 0.00 C ATOM 407 CD1 LEU A 27 -0.245 -1.855 -2.242 1.00 0.00 C ATOM 408 CD2 LEU A 27 1.290 -2.645 -4.058 1.00 0.00 C ATOM 0 H LEU A 27 -2.135 -1.330 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.230 -3.415 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.137 -2.706 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.992 -4.029 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.198 -1.121 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.524 -1.165 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.229 -1.433 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.143 -2.805 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.056 -1.956 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.411 -3.609 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.390 -2.774 -5.136 1.00 0.00 H new ATOM 420 N GLU A 28 -3.397 -4.156 -6.330 1.00 0.00 N ATOM 421 CA GLU A 28 -4.323 -5.188 -6.779 1.00 0.00 C ATOM 422 C GLU A 28 -3.939 -5.710 -8.159 1.00 0.00 C ATOM 423 O GLU A 28 -3.927 -6.919 -8.394 1.00 0.00 O ATOM 424 CB GLU A 28 -5.755 -4.650 -6.801 1.00 0.00 C ATOM 425 CG GLU A 28 -6.799 -5.658 -7.260 1.00 0.00 C ATOM 426 CD GLU A 28 -8.152 -5.018 -7.404 1.00 0.00 C ATOM 427 OE1 GLU A 28 -8.256 -3.836 -7.177 1.00 0.00 O ATOM 428 OE2 GLU A 28 -9.056 -5.681 -7.851 1.00 0.00 O ATOM 0 H GLU A 28 -3.823 -3.239 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.267 -6.016 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.016 -4.305 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.794 -3.781 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.496 -6.090 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.856 -6.477 -6.543 1.00 0.00 H new ATOM 435 N GLU A 29 -3.627 -4.793 -9.067 1.00 0.00 N ATOM 436 CA GLU A 29 -3.236 -5.160 -10.423 1.00 0.00 C ATOM 437 C GLU A 29 -1.863 -5.820 -10.442 1.00 0.00 C ATOM 438 O GLU A 29 -1.610 -6.725 -11.236 1.00 0.00 O ATOM 439 CB GLU A 29 -3.241 -3.930 -11.333 1.00 0.00 C ATOM 440 CG GLU A 29 -4.626 -3.375 -11.632 1.00 0.00 C ATOM 441 CD GLU A 29 -4.544 -2.091 -12.414 1.00 0.00 C ATOM 442 OE1 GLU A 29 -3.451 -1.632 -12.651 1.00 0.00 O ATOM 443 OE2 GLU A 29 -5.562 -1.631 -12.869 1.00 0.00 O ATOM 0 H GLU A 29 -3.637 -3.789 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.964 -5.880 -10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.642 -3.147 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.755 -4.187 -12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.201 -4.110 -12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.160 -3.201 -10.698 1.00 0.00 H new ATOM 450 N PHE A 30 -0.979 -5.361 -9.561 1.00 0.00 N ATOM 451 CA PHE A 30 0.366 -5.913 -9.468 1.00 0.00 C ATOM 452 C PHE A 30 0.335 -7.360 -8.989 1.00 0.00 C ATOM 453 O PHE A 30 0.985 -8.230 -9.572 1.00 0.00 O ATOM 454 CB PHE A 30 1.227 -5.067 -8.528 1.00 0.00 C ATOM 455 CG PHE A 30 2.647 -5.541 -8.415 1.00 0.00 C ATOM 456 CD1 PHE A 30 3.561 -5.292 -9.429 1.00 0.00 C ATOM 457 CD2 PHE A 30 3.074 -6.241 -7.295 1.00 0.00 C ATOM 458 CE1 PHE A 30 4.868 -5.729 -9.325 1.00 0.00 C ATOM 459 CE2 PHE A 30 4.380 -6.678 -7.188 1.00 0.00 C ATOM 460 CZ PHE A 30 5.277 -6.422 -8.205 1.00 0.00 C ATOM 0 H PHE A 30 -1.172 -4.607 -8.901 1.00 0.00 H new ATOM 0 HA PHE A 30 0.805 -5.893 -10.465 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.225 -4.035 -8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.774 -5.067 -7.537 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.247 -4.751 -10.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.376 -6.447 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.569 -5.528 -10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.699 -7.219 -6.310 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.298 -6.764 -8.124 1.00 0.00 H new ATOM 470 N THR A 31 -0.422 -7.611 -7.927 1.00 0.00 N ATOM 471 CA THR A 31 -0.444 -8.925 -7.296 1.00 0.00 C ATOM 472 C THR A 31 -1.528 -9.808 -7.902 1.00 0.00 C ATOM 473 O THR A 31 -1.439 -11.035 -7.858 1.00 0.00 O ATOM 474 CB THR A 31 -0.673 -8.818 -5.777 1.00 0.00 C ATOM 475 OG1 THR A 31 -1.974 -8.275 -5.523 1.00 0.00 O ATOM 476 CG2 THR A 31 0.379 -7.922 -5.141 1.00 0.00 C ATOM 0 H THR A 31 -1.029 -6.921 -7.485 1.00 0.00 H new ATOM 0 HA THR A 31 0.531 -9.377 -7.476 1.00 0.00 H new ATOM 0 HB THR A 31 -0.598 -9.815 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.975 -7.317 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.202 -7.858 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.370 -8.340 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.321 -6.925 -5.578 1.00 0.00 H new ATOM 484 N GLN A 32 -2.553 -9.177 -8.465 1.00 0.00 N ATOM 485 CA GLN A 32 -3.766 -9.882 -8.859 1.00 0.00 C ATOM 486 C GLN A 32 -4.376 -10.630 -7.679 1.00 0.00 C ATOM 487 O GLN A 32 -4.956 -11.702 -7.846 1.00 0.00 O ATOM 488 CB GLN A 32 -3.469 -10.865 -9.994 1.00 0.00 C ATOM 489 CG GLN A 32 -3.003 -10.205 -11.282 1.00 0.00 C ATOM 490 CD GLN A 32 -4.104 -9.411 -11.956 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.216 -9.908 -12.155 1.00 0.00 O ATOM 492 NE2 GLN A 32 -3.801 -8.168 -12.316 1.00 0.00 N ATOM 0 H GLN A 32 -2.567 -8.176 -8.659 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.483 -9.138 -9.206 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.705 -11.567 -9.661 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.367 -11.446 -10.201 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.163 -9.545 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.639 -10.970 -11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.869 -7.797 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.501 -7.585 -12.776 1.00 0.00 H new ATOM 501 N ALA A 33 -4.241 -10.057 -6.488 1.00 0.00 N ATOM 502 CA ALA A 33 -4.878 -10.606 -5.298 1.00 0.00 C ATOM 503 C ALA A 33 -6.134 -9.823 -4.934 1.00 0.00 C ATOM 504 O ALA A 33 -6.374 -8.737 -5.463 1.00 0.00 O ATOM 505 CB ALA A 33 -3.900 -10.616 -4.131 1.00 0.00 C ATOM 0 H ALA A 33 -3.695 -9.211 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.174 -11.632 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.390 -11.029 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.035 -11.229 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.573 -9.597 -3.921 1.00 0.00 H new ATOM 511 N LYS A 34 -6.930 -10.379 -4.028 1.00 0.00 N ATOM 512 CA LYS A 34 -8.128 -9.704 -3.545 1.00 0.00 C ATOM 513 C LYS A 34 -7.773 -8.496 -2.686 1.00 0.00 C ATOM 514 O LYS A 34 -6.733 -8.475 -2.028 1.00 0.00 O ATOM 515 CB LYS A 34 -9.004 -10.673 -2.749 1.00 0.00 C ATOM 516 CG LYS A 34 -9.618 -11.792 -3.580 1.00 0.00 C ATOM 517 CD LYS A 34 -10.504 -12.691 -2.728 1.00 0.00 C ATOM 518 CE LYS A 34 -11.123 -13.806 -3.559 1.00 0.00 C ATOM 519 NZ LYS A 34 -12.009 -14.680 -2.743 1.00 0.00 N ATOM 0 H LYS A 34 -6.767 -11.296 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.685 -9.353 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.405 -11.115 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.806 -10.110 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.205 -11.364 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.826 -12.386 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.916 -13.122 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.293 -12.097 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.696 -13.373 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.332 -14.408 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.411 -15.426 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.457 -15.114 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.779 -14.111 -2.337 1.00 0.00 H new ATOM 533 N ARG A 35 -8.640 -7.491 -2.700 1.00 0.00 N ATOM 534 CA ARG A 35 -8.404 -6.263 -1.949 1.00 0.00 C ATOM 535 C ARG A 35 -8.319 -6.539 -0.454 1.00 0.00 C ATOM 536 O ARG A 35 -7.433 -6.030 0.233 1.00 0.00 O ATOM 537 CB ARG A 35 -9.438 -5.191 -2.260 1.00 0.00 C ATOM 538 CG ARG A 35 -9.327 -4.577 -3.646 1.00 0.00 C ATOM 539 CD ARG A 35 -10.380 -3.578 -3.960 1.00 0.00 C ATOM 540 NE ARG A 35 -10.331 -3.056 -5.316 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.232 -2.204 -5.841 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.272 -1.803 -5.143 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.057 -1.797 -7.086 1.00 0.00 N ATOM 0 H ARG A 35 -9.515 -7.502 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.439 -5.872 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.433 -5.623 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.351 -4.397 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.351 -4.101 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.367 -5.375 -4.388 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.356 -4.034 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.294 -2.746 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.560 -3.356 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.406 -2.138 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.945 -1.157 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.256 -2.128 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.723 -1.152 -7.510 1.00 0.00 H new ATOM 557 N GLU A 36 -9.245 -7.351 0.045 1.00 0.00 N ATOM 558 CA GLU A 36 -9.287 -7.682 1.465 1.00 0.00 C ATOM 559 C GLU A 36 -8.024 -8.414 1.899 1.00 0.00 C ATOM 560 O GLU A 36 -7.461 -8.129 2.956 1.00 0.00 O ATOM 561 CB GLU A 36 -10.521 -8.531 1.781 1.00 0.00 C ATOM 562 CG GLU A 36 -11.841 -7.781 1.689 1.00 0.00 C ATOM 563 CD GLU A 36 -13.012 -8.709 1.864 1.00 0.00 C ATOM 564 OE1 GLU A 36 -12.795 -9.892 1.976 1.00 0.00 O ATOM 565 OE2 GLU A 36 -14.111 -8.227 2.000 1.00 0.00 O ATOM 0 H GLU A 36 -9.976 -7.792 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.347 -6.747 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.550 -9.378 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.418 -8.939 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.874 -7.003 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.911 -7.282 0.722 1.00 0.00 H new ATOM 572 N VAL A 37 -7.581 -9.358 1.075 1.00 0.00 N ATOM 573 CA VAL A 37 -6.393 -10.146 1.380 1.00 0.00 C ATOM 574 C VAL A 37 -5.146 -9.272 1.410 1.00 0.00 C ATOM 575 O VAL A 37 -4.278 -9.442 2.264 1.00 0.00 O ATOM 576 CB VAL A 37 -6.189 -11.279 0.357 1.00 0.00 C ATOM 577 CG1 VAL A 37 -4.855 -11.974 0.592 1.00 0.00 C ATOM 578 CG2 VAL A 37 -7.331 -12.282 0.439 1.00 0.00 C ATOM 0 H VAL A 37 -8.028 -9.596 0.190 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.550 -10.583 2.366 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.182 -10.844 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.727 -12.772 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.045 -11.252 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.837 -12.396 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.171 -13.076 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.367 -12.711 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.274 -11.778 0.226 1.00 0.00 H new ATOM 588 N LEU A 38 -5.064 -8.335 0.471 1.00 0.00 N ATOM 589 CA LEU A 38 -3.953 -7.390 0.427 1.00 0.00 C ATOM 590 C LEU A 38 -3.983 -6.449 1.625 1.00 0.00 C ATOM 591 O LEU A 38 -2.938 -6.064 2.149 1.00 0.00 O ATOM 592 CB LEU A 38 -3.990 -6.590 -0.881 1.00 0.00 C ATOM 593 CG LEU A 38 -3.681 -7.395 -2.148 1.00 0.00 C ATOM 594 CD1 LEU A 38 -3.972 -6.555 -3.385 1.00 0.00 C ATOM 595 CD2 LEU A 38 -2.227 -7.839 -2.127 1.00 0.00 C ATOM 0 H LEU A 38 -5.754 -8.209 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.023 -7.958 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.978 -6.142 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.275 -5.771 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.317 -8.280 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.749 -7.136 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.024 -6.268 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.352 -5.659 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.008 -8.411 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.580 -6.963 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.049 -8.461 -1.250 1.00 0.00 H new ATOM 607 N LEU A 39 -5.186 -6.085 2.055 1.00 0.00 N ATOM 608 CA LEU A 39 -5.355 -5.181 3.187 1.00 0.00 C ATOM 609 C LEU A 39 -4.914 -5.840 4.488 1.00 0.00 C ATOM 610 O LEU A 39 -4.429 -5.172 5.401 1.00 0.00 O ATOM 611 CB LEU A 39 -6.815 -4.724 3.287 1.00 0.00 C ATOM 612 CG LEU A 39 -7.254 -3.704 2.230 1.00 0.00 C ATOM 613 CD1 LEU A 39 -8.765 -3.515 2.283 1.00 0.00 C ATOM 614 CD2 LEU A 39 -6.538 -2.383 2.468 1.00 0.00 C ATOM 0 H LEU A 39 -6.060 -6.403 1.636 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.722 -4.309 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.459 -5.600 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.977 -4.292 4.275 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.990 -4.072 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.068 -2.789 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.258 -4.467 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.052 -3.153 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.851 -1.659 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.788 -2.007 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.461 -2.535 2.399 1.00 0.00 H new ATOM 626 N VAL A 40 -5.084 -7.156 4.566 1.00 0.00 N ATOM 627 CA VAL A 40 -4.578 -7.928 5.694 1.00 0.00 C ATOM 628 C VAL A 40 -3.066 -7.796 5.818 1.00 0.00 C ATOM 629 O VAL A 40 -2.540 -7.565 6.906 1.00 0.00 O ATOM 630 CB VAL A 40 -4.944 -9.418 5.568 1.00 0.00 C ATOM 631 CG1 VAL A 40 -4.205 -10.240 6.614 1.00 0.00 C ATOM 632 CG2 VAL A 40 -6.447 -9.612 5.706 1.00 0.00 C ATOM 0 H VAL A 40 -5.569 -7.710 3.860 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.049 -7.522 6.589 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.640 -9.763 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.476 -11.291 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.130 -10.127 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.479 -9.892 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.687 -10.671 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.773 -9.249 6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.959 -9.055 4.922 1.00 0.00 H new ATOM 642 N THR A 41 -2.370 -7.944 4.695 1.00 0.00 N ATOM 643 CA THR A 41 -0.923 -7.776 4.663 1.00 0.00 C ATOM 644 C THR A 41 -0.528 -6.337 4.967 1.00 0.00 C ATOM 645 O THR A 41 0.409 -6.087 5.725 1.00 0.00 O ATOM 646 CB THR A 41 -0.337 -8.179 3.296 1.00 0.00 C ATOM 647 OG1 THR A 41 -0.588 -9.570 3.057 1.00 0.00 O ATOM 648 CG2 THR A 41 1.163 -7.926 3.264 1.00 0.00 C ATOM 0 H THR A 41 -2.786 -8.180 3.794 1.00 0.00 H new ATOM 0 HA THR A 41 -0.515 -8.432 5.432 1.00 0.00 H new ATOM 0 HB THR A 41 -0.814 -7.578 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.216 -9.825 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.560 -8.216 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.357 -6.867 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.648 -8.513 4.044 1.00 0.00 H new ATOM 656 N LEU A 42 -1.249 -5.392 4.374 1.00 0.00 N ATOM 657 CA LEU A 42 -0.960 -3.975 4.560 1.00 0.00 C ATOM 658 C LEU A 42 -1.185 -3.552 6.006 1.00 0.00 C ATOM 659 O LEU A 42 -0.435 -2.742 6.550 1.00 0.00 O ATOM 660 CB LEU A 42 -1.822 -3.129 3.616 1.00 0.00 C ATOM 661 CG LEU A 42 -1.458 -3.234 2.128 1.00 0.00 C ATOM 662 CD1 LEU A 42 -2.551 -2.601 1.278 1.00 0.00 C ATOM 663 CD2 LEU A 42 -0.121 -2.551 1.884 1.00 0.00 C ATOM 0 H LEU A 42 -2.040 -5.582 3.759 1.00 0.00 H new ATOM 0 HA LEU A 42 0.091 -3.810 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.864 -3.423 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.747 -2.085 3.919 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.373 -4.284 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.284 -2.680 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.494 -3.119 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.658 -1.550 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.138 -2.625 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.192 -1.501 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.650 -3.037 2.482 1.00 0.00 H new ATOM 675 N THR A 43 -2.224 -4.106 6.623 1.00 0.00 N ATOM 676 CA THR A 43 -2.560 -3.776 8.002 1.00 0.00 C ATOM 677 C THR A 43 -1.529 -4.340 8.971 1.00 0.00 C ATOM 678 O THR A 43 -1.105 -3.662 9.906 1.00 0.00 O ATOM 679 CB THR A 43 -3.953 -4.305 8.387 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.951 -3.667 7.578 1.00 0.00 O ATOM 681 CG2 THR A 43 -4.245 -4.028 9.853 1.00 0.00 C ATOM 0 H THR A 43 -2.848 -4.786 6.189 1.00 0.00 H new ATOM 0 HA THR A 43 -2.563 -2.688 8.071 1.00 0.00 H new ATOM 0 HB THR A 43 -3.972 -5.382 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.857 -3.963 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.234 -4.410 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.497 -4.522 10.473 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.214 -2.954 10.034 1.00 0.00 H new ATOM 689 N ARG A 44 -1.129 -5.587 8.742 1.00 0.00 N ATOM 690 CA ARG A 44 -0.160 -6.251 9.605 1.00 0.00 C ATOM 691 C ARG A 44 1.207 -5.589 9.509 1.00 0.00 C ATOM 692 O ARG A 44 1.937 -5.507 10.496 1.00 0.00 O ATOM 693 CB ARG A 44 -0.077 -7.747 9.329 1.00 0.00 C ATOM 694 CG ARG A 44 -1.272 -8.553 9.811 1.00 0.00 C ATOM 695 CD ARG A 44 -1.191 -10.006 9.507 1.00 0.00 C ATOM 696 NE ARG A 44 -2.300 -10.791 10.026 1.00 0.00 N ATOM 697 CZ ARG A 44 -2.441 -12.121 9.857 1.00 0.00 C ATOM 698 NH1 ARG A 44 -1.568 -12.810 9.156 1.00 0.00 N ATOM 699 NH2 ARG A 44 -3.492 -12.711 10.397 1.00 0.00 N ATOM 0 H ARG A 44 -1.462 -6.158 7.965 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.513 -6.139 10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.036 -7.898 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.823 -8.140 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.372 -8.424 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.176 -8.148 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.144 -10.137 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.260 -10.399 9.916 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.022 -10.301 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.770 -12.339 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.689 -13.816 9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.170 -12.162 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.626 -13.716 10.286 1.00 0.00 H new ATOM 713 N LEU A 45 1.550 -5.119 8.315 1.00 0.00 N ATOM 714 CA LEU A 45 2.767 -4.343 8.116 1.00 0.00 C ATOM 715 C LEU A 45 2.616 -2.932 8.669 1.00 0.00 C ATOM 716 O LEU A 45 3.583 -2.331 9.138 1.00 0.00 O ATOM 717 CB LEU A 45 3.130 -4.298 6.626 1.00 0.00 C ATOM 718 CG LEU A 45 3.608 -5.627 6.030 1.00 0.00 C ATOM 719 CD1 LEU A 45 3.757 -5.499 4.520 1.00 0.00 C ATOM 720 CD2 LEU A 45 4.929 -6.027 6.669 1.00 0.00 C ATOM 0 H LEU A 45 1.000 -5.263 7.468 1.00 0.00 H new ATOM 0 HA LEU A 45 3.574 -4.832 8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.258 -3.960 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.911 -3.551 6.481 1.00 0.00 H new ATOM 0 HG LEU A 45 2.870 -6.402 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.097 -6.448 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.795 -5.235 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.486 -4.722 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.267 -6.972 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.674 -5.255 6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.793 -6.141 7.745 1.00 0.00 H new ATOM 732 N HIS A 46 1.397 -2.406 8.609 1.00 0.00 N ATOM 733 CA HIS A 46 1.105 -1.084 9.153 1.00 0.00 C ATOM 734 C HIS A 46 1.311 -1.053 10.662 1.00 0.00 C ATOM 735 O HIS A 46 1.858 -0.091 11.203 1.00 0.00 O ATOM 736 CB HIS A 46 -0.327 -0.663 8.812 1.00 0.00 C ATOM 737 CG HIS A 46 -0.660 0.734 9.235 1.00 0.00 C ATOM 738 ND1 HIS A 46 -0.053 1.843 8.683 1.00 0.00 N ATOM 739 CD2 HIS A 46 -1.536 1.202 10.156 1.00 0.00 C ATOM 740 CE1 HIS A 46 -0.542 2.934 9.247 1.00 0.00 C ATOM 741 NE2 HIS A 46 -1.443 2.571 10.144 1.00 0.00 N ATOM 0 H HIS A 46 0.595 -2.875 8.189 1.00 0.00 H new ATOM 0 HA HIS A 46 1.799 -0.378 8.696 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.476 -0.753 7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.023 -1.353 9.289 1.00 0.00 H new ATOM 0 HD1 HIS A 46 0.661 1.824 7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.186 0.609 10.782 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.255 3.949 9.015 1.00 0.00 H new ATOM 749 N GLN A 47 0.873 -2.109 11.336 1.00 0.00 N ATOM 750 CA GLN A 47 1.056 -2.229 12.778 1.00 0.00 C ATOM 751 C GLN A 47 2.532 -2.369 13.135 1.00 0.00 C ATOM 752 O GLN A 47 2.949 -2.014 14.237 1.00 0.00 O ATOM 753 CB GLN A 47 0.278 -3.431 13.320 1.00 0.00 C ATOM 754 CG GLN A 47 -1.231 -3.251 13.311 1.00 0.00 C ATOM 755 CD GLN A 47 -1.965 -4.492 13.782 1.00 0.00 C ATOM 756 OE1 GLN A 47 -1.347 -5.505 14.120 1.00 0.00 O ATOM 757 NE2 GLN A 47 -3.291 -4.422 13.802 1.00 0.00 N ATOM 0 H GLN A 47 0.387 -2.897 10.907 1.00 0.00 H new ATOM 0 HA GLN A 47 0.673 -1.318 13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.531 -4.311 12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.603 -3.630 14.341 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.497 -2.410 13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.558 -3.000 12.302 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.761 -3.564 13.514 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.840 -5.227 14.106 1.00 0.00 H new ATOM 766 N ARG A 48 3.315 -2.889 12.198 1.00 0.00 N ATOM 767 CA ARG A 48 4.746 -3.074 12.410 1.00 0.00 C ATOM 768 C ARG A 48 5.520 -1.805 12.084 1.00 0.00 C ATOM 769 O ARG A 48 6.731 -1.731 12.295 1.00 0.00 O ATOM 770 CB ARG A 48 5.290 -4.272 11.643 1.00 0.00 C ATOM 771 CG ARG A 48 4.782 -5.622 12.123 1.00 0.00 C ATOM 772 CD ARG A 48 5.221 -6.770 11.291 1.00 0.00 C ATOM 773 NE ARG A 48 4.695 -8.058 11.713 1.00 0.00 N ATOM 774 CZ ARG A 48 4.843 -9.209 11.029 1.00 0.00 C ATOM 775 NH1 ARG A 48 5.466 -9.232 9.872 1.00 0.00 N ATOM 776 NH2 ARG A 48 4.323 -10.311 11.540 1.00 0.00 N ATOM 0 H ARG A 48 2.983 -3.191 11.282 1.00 0.00 H new ATOM 0 HA ARG A 48 4.888 -3.288 13.469 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.035 -4.157 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.378 -4.265 11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.119 -5.781 13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.692 -5.600 12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.921 -6.590 10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.310 -6.815 11.303 1.00 0.00 H new ATOM 0 HE ARG A 48 4.176 -8.093 12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.846 -8.370 9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.570 -10.112 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.825 -10.275 12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.419 -11.197 11.045 1.00 0.00 H new ATOM 790 N GLY A 49 4.815 -0.803 11.567 1.00 0.00 N ATOM 791 CA GLY A 49 5.433 0.470 11.220 1.00 0.00 C ATOM 792 C GLY A 49 6.230 0.361 9.926 1.00 0.00 C ATOM 793 O GLY A 49 7.223 1.063 9.736 1.00 0.00 O ATOM 0 H GLY A 49 3.813 -0.850 11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.663 1.234 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.090 0.791 12.029 1.00 0.00 H new ATOM 797 N VAL A 50 5.789 -0.525 9.040 1.00 0.00 N ATOM 798 CA VAL A 50 6.478 -0.749 7.774 1.00 0.00 C ATOM 799 C VAL A 50 5.818 0.031 6.642 1.00 0.00 C ATOM 800 O VAL A 50 6.474 0.804 5.944 1.00 0.00 O ATOM 801 CB VAL A 50 6.509 -2.244 7.404 1.00 0.00 C ATOM 802 CG1 VAL A 50 7.196 -2.446 6.062 1.00 0.00 C ATOM 803 CG2 VAL A 50 7.212 -3.046 8.488 1.00 0.00 C ATOM 0 H VAL A 50 4.957 -1.100 9.175 1.00 0.00 H new ATOM 0 HA VAL A 50 7.501 -0.396 7.906 1.00 0.00 H new ATOM 0 HB VAL A 50 5.482 -2.601 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.209 -3.508 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.653 -1.901 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.219 -2.074 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.225 -4.100 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.235 -2.688 8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.680 -2.926 9.432 1.00 0.00 H new ATOM 813 N ILE A 51 4.518 -0.178 6.466 1.00 0.00 N ATOM 814 CA ILE A 51 3.764 0.514 5.427 1.00 0.00 C ATOM 815 C ILE A 51 2.722 1.446 6.031 1.00 0.00 C ATOM 816 O ILE A 51 1.879 1.021 6.821 1.00 0.00 O ATOM 817 CB ILE A 51 3.066 -0.479 4.479 1.00 0.00 C ATOM 818 CG1 ILE A 51 4.099 -1.372 3.787 1.00 0.00 C ATOM 819 CG2 ILE A 51 2.228 0.267 3.453 1.00 0.00 C ATOM 820 CD1 ILE A 51 3.489 -2.445 2.913 1.00 0.00 C ATOM 0 H ILE A 51 3.964 -0.822 7.030 1.00 0.00 H new ATOM 0 HA ILE A 51 4.483 1.101 4.855 1.00 0.00 H new ATOM 0 HB ILE A 51 2.403 -1.114 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.754 -0.749 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.723 -1.845 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.741 -0.449 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.471 0.861 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.870 0.925 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.282 -3.037 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.856 -3.093 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.888 -1.980 2.132 1.00 0.00 H new ATOM 832 N TYR A 52 2.783 2.718 5.653 1.00 0.00 N ATOM 833 CA TYR A 52 1.903 3.730 6.224 1.00 0.00 C ATOM 834 C TYR A 52 0.829 4.151 5.228 1.00 0.00 C ATOM 835 O TYR A 52 1.025 4.059 4.016 1.00 0.00 O ATOM 836 CB TYR A 52 2.709 4.950 6.674 1.00 0.00 C ATOM 837 CG TYR A 52 3.723 4.650 7.755 1.00 0.00 C ATOM 838 CD1 TYR A 52 4.965 4.120 7.441 1.00 0.00 C ATOM 839 CD2 TYR A 52 3.434 4.900 9.089 1.00 0.00 C ATOM 840 CE1 TYR A 52 5.894 3.844 8.425 1.00 0.00 C ATOM 841 CE2 TYR A 52 4.355 4.629 10.082 1.00 0.00 C ATOM 842 CZ TYR A 52 5.585 4.100 9.746 1.00 0.00 C ATOM 843 OH TYR A 52 6.506 3.829 10.730 1.00 0.00 O ATOM 0 H TYR A 52 3.434 3.073 4.952 1.00 0.00 H new ATOM 0 HA TYR A 52 1.411 3.292 7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.226 5.370 5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.021 5.714 7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.210 3.919 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.473 5.314 9.355 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.857 3.430 8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.114 4.830 11.115 1.00 0.00 H new ATOM 0 HH TYR A 52 6.880 2.934 10.590 1.00 0.00 H new ATOM 853 N ARG A 53 -0.303 4.613 5.746 1.00 0.00 N ATOM 854 CA ARG A 53 -1.461 4.913 4.911 1.00 0.00 C ATOM 855 C ARG A 53 -1.888 6.367 5.064 1.00 0.00 C ATOM 856 O ARG A 53 -1.710 6.969 6.123 1.00 0.00 O ATOM 857 CB ARG A 53 -2.619 3.961 5.175 1.00 0.00 C ATOM 858 CG ARG A 53 -3.264 4.103 6.545 1.00 0.00 C ATOM 859 CD ARG A 53 -4.190 2.998 6.903 1.00 0.00 C ATOM 860 NE ARG A 53 -4.788 3.116 8.223 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.450 2.127 8.854 1.00 0.00 C ATOM 862 NH1 ARG A 53 -5.634 0.959 8.279 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.932 2.370 10.061 1.00 0.00 N ATOM 0 H ARG A 53 -0.444 4.788 6.741 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.158 4.762 3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.381 4.119 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.262 2.937 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.479 4.162 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.811 5.045 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.986 2.953 6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.648 2.054 6.847 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.700 4.011 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.273 0.790 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.138 0.222 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.798 3.286 10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.438 1.641 10.564 1.00 0.00 H new ATOM 877 N LYS A 54 -2.451 6.928 3.999 1.00 0.00 N ATOM 878 CA LYS A 54 -2.961 8.292 4.032 1.00 0.00 C ATOM 879 C LYS A 54 -3.999 8.519 2.939 1.00 0.00 C ATOM 880 O LYS A 54 -3.845 8.039 1.815 1.00 0.00 O ATOM 881 CB LYS A 54 -1.817 9.296 3.886 1.00 0.00 C ATOM 882 CG LYS A 54 -2.239 10.754 4.011 1.00 0.00 C ATOM 883 CD LYS A 54 -2.625 11.100 5.441 1.00 0.00 C ATOM 884 CE LYS A 54 -3.109 12.537 5.553 1.00 0.00 C ATOM 885 NZ LYS A 54 -3.647 12.840 6.907 1.00 0.00 N ATOM 0 H LYS A 54 -2.565 6.457 3.101 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.444 8.443 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.063 9.082 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.343 9.150 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.423 11.400 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.082 10.948 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.408 10.423 5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.767 10.951 6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.285 13.215 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.882 12.718 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.966 13.829 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.449 12.210 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.902 12.692 7.618 1.00 0.00 H new ATOM 899 N TRP A 55 -5.054 9.253 3.275 1.00 0.00 N ATOM 900 CA TRP A 55 -6.086 9.599 2.306 1.00 0.00 C ATOM 901 C TRP A 55 -5.689 10.826 1.493 1.00 0.00 C ATOM 902 O TRP A 55 -5.111 11.773 2.025 1.00 0.00 O ATOM 903 CB TRP A 55 -7.420 9.848 3.012 1.00 0.00 C ATOM 904 CG TRP A 55 -8.044 8.604 3.568 1.00 0.00 C ATOM 905 CD1 TRP A 55 -7.851 8.081 4.812 1.00 0.00 C ATOM 906 CD2 TRP A 55 -8.960 7.727 2.900 1.00 0.00 C ATOM 907 NE1 TRP A 55 -8.588 6.932 4.963 1.00 0.00 N ATOM 908 CE2 TRP A 55 -9.280 6.695 3.801 1.00 0.00 C ATOM 909 CE3 TRP A 55 -9.541 7.717 1.627 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -10.149 5.666 3.472 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -10.413 6.685 1.299 1.00 0.00 C ATOM 912 CH2 TRP A 55 -10.710 5.690 2.195 1.00 0.00 C ATOM 0 H TRP A 55 -5.217 9.620 4.213 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.197 8.757 1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.266 10.561 3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.113 10.310 2.309 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.211 8.509 5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.617 6.350 5.800 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -9.316 8.496 0.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.382 4.879 4.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -10.866 6.666 0.319 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -11.394 4.906 1.905 1.00 0.00 H new ATOM 923 N ARG A 56 -6.003 10.801 0.202 1.00 0.00 N ATOM 924 CA ARG A 56 -5.737 11.938 -0.671 1.00 0.00 C ATOM 925 C ARG A 56 -6.921 12.214 -1.591 1.00 0.00 C ATOM 926 O ARG A 56 -7.377 11.327 -2.314 1.00 0.00 O ATOM 927 CB ARG A 56 -4.447 11.767 -1.460 1.00 0.00 C ATOM 928 CG ARG A 56 -4.143 12.890 -2.438 1.00 0.00 C ATOM 929 CD ARG A 56 -2.782 12.830 -3.034 1.00 0.00 C ATOM 930 NE ARG A 56 -2.473 11.577 -3.704 1.00 0.00 N ATOM 931 CZ ARG A 56 -2.718 11.322 -5.003 1.00 0.00 C ATOM 932 NH1 ARG A 56 -3.308 12.214 -5.769 1.00 0.00 N ATOM 933 NH2 ARG A 56 -2.371 10.143 -5.486 1.00 0.00 N ATOM 0 H ARG A 56 -6.442 10.006 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.601 12.809 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.617 11.681 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.497 10.828 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.880 12.866 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.261 13.845 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.676 13.646 -3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.047 12.998 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.040 10.838 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.587 13.115 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.486 12.005 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.929 9.453 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.545 9.922 -6.467 1.00 0.00 H new ATOM 947 N HIS A 57 -7.413 13.446 -1.558 1.00 0.00 N ATOM 948 CA HIS A 57 -8.493 13.864 -2.446 1.00 0.00 C ATOM 949 C HIS A 57 -8.018 13.941 -3.891 1.00 0.00 C ATOM 950 O HIS A 57 -6.960 14.502 -4.178 1.00 0.00 O ATOM 951 CB HIS A 57 -9.060 15.218 -2.009 1.00 0.00 C ATOM 952 CG HIS A 57 -10.325 15.597 -2.714 1.00 0.00 C ATOM 953 ND1 HIS A 57 -10.332 16.229 -3.941 1.00 0.00 N ATOM 954 CD2 HIS A 57 -11.623 15.434 -2.368 1.00 0.00 C ATOM 955 CE1 HIS A 57 -11.581 16.438 -4.318 1.00 0.00 C ATOM 956 NE2 HIS A 57 -12.384 15.965 -3.382 1.00 0.00 N ATOM 0 H HIS A 57 -7.082 14.175 -0.926 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.282 13.114 -2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.246 15.194 -0.935 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.311 15.990 -2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.992 14.973 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.892 16.915 -5.236 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.403 15.990 -3.408 1.00 0.00 H new ATOM 964 N PHE A 58 -8.807 13.376 -4.799 1.00 0.00 N ATOM 965 CA PHE A 58 -8.423 13.293 -6.203 1.00 0.00 C ATOM 966 C PHE A 58 -9.647 13.187 -7.104 1.00 0.00 C ATOM 967 O PHE A 58 -10.423 12.235 -7.002 1.00 0.00 O ATOM 968 CB PHE A 58 -7.496 12.100 -6.433 1.00 0.00 C ATOM 969 CG PHE A 58 -7.015 11.968 -7.851 1.00 0.00 C ATOM 970 CD1 PHE A 58 -6.068 12.844 -8.360 1.00 0.00 C ATOM 971 CD2 PHE A 58 -7.510 10.970 -8.677 1.00 0.00 C ATOM 972 CE1 PHE A 58 -5.627 12.724 -9.665 1.00 0.00 C ATOM 973 CE2 PHE A 58 -7.070 10.847 -9.980 1.00 0.00 C ATOM 974 CZ PHE A 58 -6.127 11.727 -10.474 1.00 0.00 C ATOM 0 H PHE A 58 -9.718 12.968 -4.587 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.891 14.210 -6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.633 12.191 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.019 11.186 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.671 13.627 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.249 10.280 -8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.890 13.413 -10.051 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.463 10.064 -10.612 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.782 11.634 -11.493 1.00 0.00 H new ATOM 984 N SER A 59 -9.815 14.167 -7.984 1.00 0.00 N ATOM 985 CA SER A 59 -10.877 14.129 -8.981 1.00 0.00 C ATOM 986 C SER A 59 -12.248 14.022 -8.323 1.00 0.00 C ATOM 987 O SER A 59 -13.151 13.373 -8.850 1.00 0.00 O ATOM 988 CB SER A 59 -10.659 12.970 -9.933 1.00 0.00 C ATOM 989 OG SER A 59 -9.448 13.082 -10.630 1.00 0.00 O ATOM 0 H SER A 59 -9.227 15.000 -8.027 1.00 0.00 H new ATOM 0 HA SER A 59 -10.846 15.062 -9.544 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.670 12.035 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.484 12.925 -10.644 1.00 0.00 H new ATOM 0 HG SER A 59 -8.817 12.409 -10.300 1.00 0.00 H new ATOM 995 N GLY A 60 -12.394 14.664 -7.168 1.00 0.00 N ATOM 996 CA GLY A 60 -13.696 14.795 -6.525 1.00 0.00 C ATOM 997 C GLY A 60 -13.937 13.662 -5.536 1.00 0.00 C ATOM 998 O GLY A 60 -14.974 13.613 -4.872 1.00 0.00 O ATOM 0 H GLY A 60 -11.626 15.102 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.754 15.752 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.480 14.794 -7.282 1.00 0.00 H new ATOM 1002 N ARG A 61 -12.975 12.751 -5.441 1.00 0.00 N ATOM 1003 CA ARG A 61 -13.094 11.600 -4.553 1.00 0.00 C ATOM 1004 C ARG A 61 -11.795 11.350 -3.798 1.00 0.00 C ATOM 1005 O ARG A 61 -10.705 11.508 -4.350 1.00 0.00 O ATOM 1006 CB ARG A 61 -13.559 10.352 -5.288 1.00 0.00 C ATOM 1007 CG ARG A 61 -14.981 10.418 -5.824 1.00 0.00 C ATOM 1008 CD ARG A 61 -15.440 9.176 -6.497 1.00 0.00 C ATOM 1009 NE ARG A 61 -16.790 9.246 -7.033 1.00 0.00 N ATOM 1010 CZ ARG A 61 -17.395 8.251 -7.712 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -16.765 7.128 -7.974 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -18.634 8.445 -8.130 1.00 0.00 N ATOM 0 H ARG A 61 -12.103 12.787 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.866 11.840 -3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.881 10.164 -6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.480 9.500 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.658 10.641 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.053 11.247 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.752 8.942 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.387 8.351 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.315 10.108 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.802 6.999 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.239 6.386 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.105 9.329 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.119 7.711 -8.646 1.00 0.00 H new ATOM 1026 N LYS A 62 -11.916 10.960 -2.534 1.00 0.00 N ATOM 1027 CA LYS A 62 -10.751 10.667 -1.707 1.00 0.00 C ATOM 1028 C LYS A 62 -10.350 9.204 -1.819 1.00 0.00 C ATOM 1029 O LYS A 62 -11.174 8.308 -1.631 1.00 0.00 O ATOM 1030 CB LYS A 62 -11.028 11.028 -0.246 1.00 0.00 C ATOM 1031 CG LYS A 62 -11.162 12.521 0.019 1.00 0.00 C ATOM 1032 CD LYS A 62 -11.446 12.799 1.488 1.00 0.00 C ATOM 1033 CE LYS A 62 -11.574 14.291 1.755 1.00 0.00 C ATOM 1034 NZ LYS A 62 -11.868 14.577 3.185 1.00 0.00 N ATOM 0 H LYS A 62 -12.811 10.839 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.922 11.275 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.945 10.532 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.222 10.633 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.245 13.029 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.966 12.930 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.366 12.294 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.644 12.386 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.649 14.792 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.367 14.704 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.947 15.605 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.763 14.121 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.099 14.206 3.779 1.00 0.00 H new ATOM 1048 N TYR A 63 -9.080 8.965 -2.125 1.00 0.00 N ATOM 1049 CA TYR A 63 -8.551 7.608 -2.206 1.00 0.00 C ATOM 1050 C TYR A 63 -7.399 7.407 -1.228 1.00 0.00 C ATOM 1051 O TYR A 63 -6.593 8.312 -1.011 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.092 7.295 -3.630 1.00 0.00 C ATOM 1053 CG TYR A 63 -9.187 7.416 -4.668 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -10.036 6.352 -4.930 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -9.366 8.591 -5.381 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -11.038 6.455 -5.877 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -10.363 8.706 -6.330 1.00 0.00 C ATOM 1058 CZ TYR A 63 -11.198 7.635 -6.575 1.00 0.00 C ATOM 1059 OH TYR A 63 -12.194 7.743 -7.518 1.00 0.00 O ATOM 0 H TYR A 63 -8.396 9.695 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.353 6.921 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.278 7.969 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.689 6.282 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.913 5.427 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.715 9.431 -5.191 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.692 5.617 -6.069 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.488 9.629 -6.877 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.171 8.638 -7.917 1.00 0.00 H new ATOM 1069 N ARG A 64 -7.326 6.216 -0.644 1.00 0.00 N ATOM 1070 CA ARG A 64 -6.264 5.889 0.299 1.00 0.00 C ATOM 1071 C ARG A 64 -5.065 5.276 -0.413 1.00 0.00 C ATOM 1072 O ARG A 64 -5.209 4.342 -1.202 1.00 0.00 O ATOM 1073 CB ARG A 64 -6.756 4.998 1.430 1.00 0.00 C ATOM 1074 CG ARG A 64 -5.809 4.888 2.615 1.00 0.00 C ATOM 1075 CD ARG A 64 -6.385 4.198 3.798 1.00 0.00 C ATOM 1076 NE ARG A 64 -6.597 2.772 3.619 1.00 0.00 N ATOM 1077 CZ ARG A 64 -7.648 2.086 4.109 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -8.566 2.683 4.837 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -7.721 0.791 3.857 1.00 0.00 N ATOM 0 H ARG A 64 -7.991 5.460 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.939 6.825 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.714 5.379 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.937 3.999 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.912 4.355 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.497 5.890 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.722 4.350 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.337 4.666 4.048 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.900 2.253 3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.489 3.680 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.356 2.149 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.993 0.337 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.505 0.245 4.215 1.00 0.00 H new ATOM 1093 N GLU A 65 -3.880 5.808 -0.131 1.00 0.00 N ATOM 1094 CA GLU A 65 -2.650 5.298 -0.723 1.00 0.00 C ATOM 1095 C GLU A 65 -1.655 4.877 0.350 1.00 0.00 C ATOM 1096 O GLU A 65 -1.732 5.328 1.493 1.00 0.00 O ATOM 1097 CB GLU A 65 -2.021 6.348 -1.641 1.00 0.00 C ATOM 1098 CG GLU A 65 -1.828 7.713 -0.994 1.00 0.00 C ATOM 1099 CD GLU A 65 -1.198 8.686 -1.951 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -1.744 8.890 -3.008 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -0.232 9.311 -1.581 1.00 0.00 O ATOM 0 H GLU A 65 -3.746 6.594 0.505 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.905 4.419 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.053 5.981 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.649 6.463 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.791 8.099 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.201 7.613 -0.108 1.00 0.00 H new ATOM 1108 N TYR A 66 -0.721 4.009 -0.023 1.00 0.00 N ATOM 1109 CA TYR A 66 0.198 3.410 0.938 1.00 0.00 C ATOM 1110 C TYR A 66 1.645 3.720 0.580 1.00 0.00 C ATOM 1111 O TYR A 66 2.063 3.545 -0.565 1.00 0.00 O ATOM 1112 CB TYR A 66 -0.014 1.897 1.011 1.00 0.00 C ATOM 1113 CG TYR A 66 -1.344 1.492 1.608 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -2.487 1.429 0.824 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -1.451 1.171 2.952 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -3.704 1.060 1.363 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -2.664 0.800 3.502 1.00 0.00 C ATOM 1118 CZ TYR A 66 -3.788 0.746 2.704 1.00 0.00 C ATOM 1119 OH TYR A 66 -4.996 0.377 3.247 1.00 0.00 O ATOM 0 H TYR A 66 -0.580 3.704 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.012 3.843 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.064 1.480 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.788 1.456 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.424 1.673 -0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.573 1.211 3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.584 1.018 0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.731 0.554 4.551 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.881 0.188 4.202 1.00 0.00 H new ATOM 1129 N CYS A 67 2.408 4.178 1.567 1.00 0.00 N ATOM 1130 CA CYS A 67 3.823 4.471 1.368 1.00 0.00 C ATOM 1131 C CYS A 67 4.700 3.541 2.197 1.00 0.00 C ATOM 1132 O CYS A 67 4.331 3.149 3.306 1.00 0.00 O ATOM 1133 CB CYS A 67 3.944 5.911 1.867 1.00 0.00 C ATOM 1134 SG CYS A 67 2.879 7.092 1.006 1.00 0.00 S ATOM 0 H CYS A 67 2.070 4.354 2.513 1.00 0.00 H new ATOM 0 HA CYS A 67 4.146 4.337 0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.707 5.935 2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.980 6.233 1.764 1.00 0.00 H new ATOM 0 HG CYS A 67 2.533 6.603 -0.148 1.00 0.00 H new ATOM 1140 N LEU A 68 5.861 3.188 1.656 1.00 0.00 N ATOM 1141 CA LEU A 68 6.779 2.280 2.333 1.00 0.00 C ATOM 1142 C LEU A 68 7.832 3.049 3.120 1.00 0.00 C ATOM 1143 O LEU A 68 8.527 3.905 2.574 1.00 0.00 O ATOM 1144 CB LEU A 68 7.449 1.349 1.315 1.00 0.00 C ATOM 1145 CG LEU A 68 8.493 0.389 1.899 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.826 -0.596 2.849 1.00 0.00 C ATOM 1147 CD2 LEU A 68 9.197 -0.346 0.767 1.00 0.00 C ATOM 0 H LEU A 68 6.189 3.518 0.748 1.00 0.00 H new ATOM 0 HA LEU A 68 6.204 1.680 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.676 0.762 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.927 1.959 0.548 1.00 0.00 H new ATOM 0 HG LEU A 68 9.233 0.957 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.577 -1.273 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.348 -0.050 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.075 -1.172 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.939 -1.028 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.466 -0.912 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.691 0.376 0.117 1.00 0.00 H new