USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 29 CYS SG : rot 145:sc= 0.0981 USER MOD Set 1.2: A 38 CYS SG : rot -177:sc= 2.14 USER MOD Set 1.3: A 74 CYS SG : rot -132:sc= 0.991 USER MOD Set 1.4: A 77 HIS : no HD1:sc= 1.22 K(o=4.5,f=-6.1!) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0.865 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -174:sc= 0.686 (180deg=-0.18) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -80:sc= 0.133 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -100:sc= 0.175 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.245 K(o=-0.25,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= 0.0591 (180deg=-0.729!) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0409 (180deg=-0.258) USER MOD Single : A 67 SER OG : rot 78:sc= 1.34 USER MOD Single : A 70 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.92) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.455 7.766 -4.793 1.00 0.00 N ATOM 48 CA GLN A 27 -4.055 8.636 -5.812 1.00 0.00 C ATOM 49 C GLN A 27 -5.095 9.528 -5.131 1.00 0.00 C ATOM 50 O GLN A 27 -6.302 9.385 -5.330 1.00 0.00 O ATOM 51 CB GLN A 27 -4.624 7.810 -6.970 1.00 0.00 C ATOM 52 CG GLN A 27 -4.925 8.651 -8.223 1.00 0.00 C ATOM 53 CD GLN A 27 -5.175 7.788 -9.455 1.00 0.00 C ATOM 54 OE1 GLN A 27 -5.384 6.582 -9.366 1.00 0.00 O ATOM 55 NE2 GLN A 27 -5.123 8.355 -10.638 1.00 0.00 N ATOM 0 HA GLN A 27 -3.300 9.281 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.915 7.024 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.540 7.318 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.799 9.276 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.088 9.322 -8.416 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.950 9.357 -10.716 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.256 7.793 -11.479 1.00 0.00 H new ATOM 64 N SER A 28 -4.594 10.423 -4.289 1.00 0.00 N ATOM 65 CA SER A 28 -5.372 11.314 -3.433 1.00 0.00 C ATOM 66 C SER A 28 -4.760 12.713 -3.453 1.00 0.00 C ATOM 67 O SER A 28 -3.600 12.880 -3.851 1.00 0.00 O ATOM 68 CB SER A 28 -5.453 10.772 -1.996 1.00 0.00 C ATOM 69 OG SER A 28 -5.481 9.353 -1.929 1.00 0.00 O ATOM 0 H SER A 28 -3.589 10.555 -4.178 1.00 0.00 H new ATOM 0 HA SER A 28 -6.390 11.368 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.597 11.138 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.347 11.169 -1.516 1.00 0.00 H new ATOM 0 HG SER A 28 -5.531 9.071 -0.992 1.00 0.00 H new ATOM 75 N CYS A 29 -5.554 13.705 -3.048 1.00 0.00 N ATOM 76 CA CYS A 29 -5.212 15.123 -3.091 1.00 0.00 C ATOM 77 C CYS A 29 -3.851 15.480 -2.441 1.00 0.00 C ATOM 78 O CYS A 29 -3.378 14.831 -1.500 1.00 0.00 O ATOM 79 CB CYS A 29 -6.397 15.874 -2.468 1.00 0.00 C ATOM 80 SG CYS A 29 -6.480 17.573 -3.094 1.00 0.00 S ATOM 0 H CYS A 29 -6.485 13.535 -2.668 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.057 15.428 -4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.326 15.351 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.296 15.886 -1.383 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.724 17.936 -3.201 1.00 0.00 H new ATOM 85 N CYS A 30 -3.240 16.554 -2.938 1.00 0.00 N ATOM 86 CA CYS A 30 -1.997 17.154 -2.446 1.00 0.00 C ATOM 87 C CYS A 30 -2.183 18.561 -1.859 1.00 0.00 C ATOM 88 O CYS A 30 -1.186 19.197 -1.514 1.00 0.00 O ATOM 89 CB CYS A 30 -0.943 17.136 -3.570 1.00 0.00 C ATOM 90 SG CYS A 30 -1.129 18.500 -4.764 1.00 0.00 S ATOM 0 H CYS A 30 -3.619 17.058 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.648 16.548 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.051 17.186 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.007 16.187 -4.102 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.068 18.208 -5.614 1.00 0.00 H new ATOM 96 N LEU A 31 -3.419 19.062 -1.773 1.00 0.00 N ATOM 97 CA LEU A 31 -3.690 20.393 -1.231 1.00 0.00 C ATOM 98 C LEU A 31 -3.882 20.372 0.295 1.00 0.00 C ATOM 99 O LEU A 31 -4.119 19.328 0.912 1.00 0.00 O ATOM 100 CB LEU A 31 -4.908 20.996 -1.954 1.00 0.00 C ATOM 101 CG LEU A 31 -4.625 21.315 -3.435 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.933 21.571 -4.166 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.761 22.553 -3.626 1.00 0.00 C ATOM 0 H LEU A 31 -4.253 18.559 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.821 21.026 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.744 20.300 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.214 21.909 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.093 20.450 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.727 21.796 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.565 20.685 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.447 22.416 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.599 22.723 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.264 23.418 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.801 22.406 -3.131 1.00 0.00 H new ATOM 115 N ILE A 32 -3.794 21.552 0.899 1.00 0.00 N ATOM 116 CA ILE A 32 -3.902 21.790 2.336 1.00 0.00 C ATOM 117 C ILE A 32 -4.683 23.092 2.487 1.00 0.00 C ATOM 118 O ILE A 32 -4.334 24.090 1.858 1.00 0.00 O ATOM 119 CB ILE A 32 -2.487 21.872 2.960 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.814 20.479 2.888 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.541 22.407 4.402 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.445 20.369 3.560 1.00 0.00 C ATOM 0 H ILE A 32 -3.638 22.413 0.374 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.418 20.984 2.858 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.885 22.580 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.482 19.749 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.707 20.201 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.532 22.452 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.978 23.405 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.151 21.743 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.066 19.353 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.248 21.067 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.539 20.608 4.619 1.00 0.00 H new ATOM 134 N GLU A 33 -5.739 23.087 3.297 1.00 0.00 N ATOM 135 CA GLU A 33 -6.640 24.237 3.433 1.00 0.00 C ATOM 136 C GLU A 33 -6.838 24.556 4.915 1.00 0.00 C ATOM 137 O GLU A 33 -7.284 23.723 5.697 1.00 0.00 O ATOM 138 CB GLU A 33 -7.940 23.971 2.658 1.00 0.00 C ATOM 139 CG GLU A 33 -8.662 25.292 2.353 1.00 0.00 C ATOM 140 CD GLU A 33 -9.866 25.161 1.412 1.00 0.00 C ATOM 141 OE1 GLU A 33 -10.120 24.040 0.904 1.00 0.00 O ATOM 142 OE2 GLU A 33 -10.488 26.211 1.139 1.00 0.00 O ATOM 0 H GLU A 33 -5.997 22.289 3.878 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.207 25.133 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.716 23.449 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.591 23.319 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.998 25.732 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.948 25.988 1.913 1.00 0.00 H new ATOM 149 N ASP A 34 -6.405 25.752 5.325 1.00 0.00 N ATOM 150 CA ASP A 34 -6.326 26.195 6.735 1.00 0.00 C ATOM 151 C ASP A 34 -5.388 25.327 7.611 1.00 0.00 C ATOM 152 O ASP A 34 -5.177 25.619 8.786 1.00 0.00 O ATOM 153 CB ASP A 34 -7.731 26.419 7.340 1.00 0.00 C ATOM 154 CG ASP A 34 -8.238 27.820 7.009 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.753 28.804 7.612 1.00 0.00 O ATOM 156 OD2 ASP A 34 -9.001 28.017 6.041 1.00 0.00 O ATOM 0 H ASP A 34 -6.088 26.467 4.670 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.839 27.170 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.424 25.673 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.693 26.285 8.421 1.00 0.00 H new ATOM 161 N GLY A 35 -4.772 24.297 7.018 1.00 0.00 N ATOM 162 CA GLY A 35 -3.905 23.296 7.642 1.00 0.00 C ATOM 163 C GLY A 35 -4.522 21.896 7.631 1.00 0.00 C ATOM 164 O GLY A 35 -3.801 20.925 7.848 1.00 0.00 O ATOM 0 H GLY A 35 -4.876 24.131 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.949 23.272 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.698 23.590 8.671 1.00 0.00 H new ATOM 168 N GLU A 36 -5.829 21.782 7.365 1.00 0.00 N ATOM 169 CA GLU A 36 -6.484 20.487 7.175 1.00 0.00 C ATOM 170 C GLU A 36 -5.891 19.844 5.921 1.00 0.00 C ATOM 171 O GLU A 36 -5.771 20.483 4.864 1.00 0.00 O ATOM 172 CB GLU A 36 -8.009 20.647 7.033 1.00 0.00 C ATOM 173 CG GLU A 36 -8.748 19.327 6.730 1.00 0.00 C ATOM 174 CD GLU A 36 -8.553 18.236 7.800 1.00 0.00 C ATOM 175 OE1 GLU A 36 -7.425 17.690 7.883 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.541 17.930 8.503 1.00 0.00 O ATOM 0 H GLU A 36 -6.457 22.581 7.276 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.312 19.855 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.408 21.073 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.217 21.361 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.813 19.535 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.405 18.944 5.769 1.00 0.00 H new ATOM 183 N ARG A 37 -5.506 18.573 6.030 1.00 0.00 N ATOM 184 CA ARG A 37 -4.840 17.864 4.948 1.00 0.00 C ATOM 185 C ARG A 37 -5.874 17.207 4.046 1.00 0.00 C ATOM 186 O ARG A 37 -6.433 16.163 4.379 1.00 0.00 O ATOM 187 CB ARG A 37 -3.801 16.888 5.518 1.00 0.00 C ATOM 188 CG ARG A 37 -3.190 15.966 4.453 1.00 0.00 C ATOM 189 CD ARG A 37 -2.683 16.690 3.195 1.00 0.00 C ATOM 190 NE ARG A 37 -2.553 15.766 2.060 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.444 15.204 1.637 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.349 15.228 2.349 1.00 0.00 N ATOM 193 NH2 ARG A 37 -1.389 14.633 0.472 1.00 0.00 N ATOM 0 H ARG A 37 -5.648 18.011 6.869 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.286 18.562 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.004 17.455 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.270 16.279 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.361 15.417 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.937 15.230 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.371 17.494 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.718 17.151 3.403 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.407 15.539 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.342 15.691 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.499 14.783 1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.214 14.617 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.521 14.200 0.157 1.00 0.00 H new ATOM 207 N CYS A 38 -6.082 17.789 2.866 1.00 0.00 N ATOM 208 CA CYS A 38 -6.949 17.209 1.854 1.00 0.00 C ATOM 209 C CYS A 38 -6.439 15.793 1.485 1.00 0.00 C ATOM 210 O CYS A 38 -5.285 15.599 1.083 1.00 0.00 O ATOM 211 CB CYS A 38 -7.040 18.184 0.669 1.00 0.00 C ATOM 212 SG CYS A 38 -8.672 18.052 -0.104 1.00 0.00 S ATOM 0 H CYS A 38 -5.654 18.673 2.590 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.966 17.069 2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.870 19.205 1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.262 17.959 -0.060 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.722 18.826 -1.147 1.00 0.00 H new ATOM 217 N VAL A 39 -7.317 14.797 1.633 1.00 0.00 N ATOM 218 CA VAL A 39 -7.061 13.365 1.348 1.00 0.00 C ATOM 219 C VAL A 39 -8.155 12.742 0.479 1.00 0.00 C ATOM 220 O VAL A 39 -8.191 11.529 0.287 1.00 0.00 O ATOM 221 CB VAL A 39 -6.859 12.535 2.637 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.559 12.907 3.352 1.00 0.00 C ATOM 223 CG2 VAL A 39 -8.032 12.666 3.619 1.00 0.00 C ATOM 0 H VAL A 39 -8.266 14.963 1.968 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.128 13.338 0.784 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.805 11.497 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.453 12.302 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.714 12.722 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.583 13.962 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.834 12.062 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.148 13.710 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.948 12.319 3.140 1.00 0.00 H new ATOM 233 N ARG A 40 -9.070 13.557 -0.060 1.00 0.00 N ATOM 234 CA ARG A 40 -10.102 13.110 -1.006 1.00 0.00 C ATOM 235 C ARG A 40 -9.451 12.394 -2.209 1.00 0.00 C ATOM 236 O ARG A 40 -8.316 12.731 -2.572 1.00 0.00 O ATOM 237 CB ARG A 40 -10.929 14.325 -1.451 1.00 0.00 C ATOM 238 CG ARG A 40 -12.055 14.690 -0.475 1.00 0.00 C ATOM 239 CD ARG A 40 -12.576 16.107 -0.762 1.00 0.00 C ATOM 240 NE ARG A 40 -11.738 17.122 -0.086 1.00 0.00 N ATOM 241 CZ ARG A 40 -11.994 17.801 1.018 1.00 0.00 C ATOM 242 NH1 ARG A 40 -13.126 17.682 1.648 1.00 0.00 N ATOM 243 NH2 ARG A 40 -11.109 18.612 1.514 1.00 0.00 N ATOM 0 H ARG A 40 -9.116 14.554 0.150 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.766 12.393 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.267 15.183 -1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.360 14.122 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.870 13.971 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.689 14.631 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.578 16.288 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.608 16.196 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.843 17.324 -0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.844 17.051 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.295 18.219 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.208 18.729 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.315 19.132 2.367 1.00 0.00 H new ATOM 257 N PRO A 41 -10.142 11.423 -2.835 1.00 0.00 N ATOM 258 CA PRO A 41 -9.599 10.684 -3.970 1.00 0.00 C ATOM 259 C PRO A 41 -9.325 11.634 -5.139 1.00 0.00 C ATOM 260 O PRO A 41 -10.164 12.465 -5.485 1.00 0.00 O ATOM 261 CB PRO A 41 -10.642 9.614 -4.310 1.00 0.00 C ATOM 262 CG PRO A 41 -11.949 10.201 -3.777 1.00 0.00 C ATOM 263 CD PRO A 41 -11.502 10.993 -2.549 1.00 0.00 C ATOM 0 HA PRO A 41 -8.642 10.214 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.693 9.431 -5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.408 8.661 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.433 10.841 -4.515 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.663 9.421 -3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.155 11.848 -2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.538 10.377 -1.651 1.00 0.00 H new ATOM 271 N ALA A 42 -8.133 11.524 -5.721 1.00 0.00 N ATOM 272 CA ALA A 42 -7.734 12.320 -6.871 1.00 0.00 C ATOM 273 C ALA A 42 -8.426 11.807 -8.140 1.00 0.00 C ATOM 274 O ALA A 42 -8.271 10.644 -8.524 1.00 0.00 O ATOM 275 CB ALA A 42 -6.208 12.313 -7.009 1.00 0.00 C ATOM 0 H ALA A 42 -7.414 10.874 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.049 13.353 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.918 12.911 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.759 12.734 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.860 11.289 -7.144 1.00 0.00 H new ATOM 281 N GLY A 43 -9.194 12.695 -8.768 1.00 0.00 N ATOM 282 CA GLY A 43 -9.845 12.457 -10.053 1.00 0.00 C ATOM 283 C GLY A 43 -8.929 12.850 -11.214 1.00 0.00 C ATOM 284 O GLY A 43 -7.701 12.867 -11.099 1.00 0.00 O ATOM 0 H GLY A 43 -9.385 13.622 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.115 11.404 -10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.771 13.029 -10.107 1.00 0.00 H new ATOM 288 N ASN A 44 -9.529 13.197 -12.351 1.00 0.00 N ATOM 289 CA ASN A 44 -8.824 13.708 -13.534 1.00 0.00 C ATOM 290 C ASN A 44 -8.430 15.194 -13.366 1.00 0.00 C ATOM 291 O ASN A 44 -8.741 16.050 -14.195 1.00 0.00 O ATOM 292 CB ASN A 44 -9.668 13.400 -14.780 1.00 0.00 C ATOM 293 CG ASN A 44 -9.573 11.929 -15.132 1.00 0.00 C ATOM 294 OD1 ASN A 44 -8.529 11.446 -15.528 1.00 0.00 O ATOM 295 ND2 ASN A 44 -10.625 11.158 -14.984 1.00 0.00 N ATOM 0 H ASN A 44 -10.538 13.131 -12.482 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.868 13.199 -13.661 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.708 13.671 -14.598 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.323 14.004 -15.619 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.563 10.163 -15.200 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.505 11.554 -14.653 1.00 0.00 H new ATOM 302 N ALA A 45 -7.749 15.489 -12.253 1.00 0.00 N ATOM 303 CA ALA A 45 -7.371 16.823 -11.804 1.00 0.00 C ATOM 304 C ALA A 45 -5.910 16.867 -11.318 1.00 0.00 C ATOM 305 O ALA A 45 -5.469 16.035 -10.522 1.00 0.00 O ATOM 306 CB ALA A 45 -8.321 17.225 -10.671 1.00 0.00 C ATOM 0 H ALA A 45 -7.433 14.762 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.448 17.520 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.061 18.222 -10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.347 17.228 -11.040 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.232 16.512 -9.851 1.00 0.00 H new ATOM 312 N SER A 46 -5.155 17.873 -11.775 1.00 0.00 N ATOM 313 CA SER A 46 -3.736 18.036 -11.424 1.00 0.00 C ATOM 314 C SER A 46 -3.291 19.501 -11.307 1.00 0.00 C ATOM 315 O SER A 46 -3.684 20.375 -12.089 1.00 0.00 O ATOM 316 CB SER A 46 -2.820 17.287 -12.407 1.00 0.00 C ATOM 317 OG SER A 46 -3.212 17.475 -13.756 1.00 0.00 O ATOM 0 H SER A 46 -5.509 18.598 -12.399 1.00 0.00 H new ATOM 0 HA SER A 46 -3.638 17.595 -10.432 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.794 17.631 -12.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.832 16.223 -12.172 1.00 0.00 H new ATOM 0 HG SER A 46 -2.602 16.984 -14.345 1.00 0.00 H new ATOM 323 N PHE A 47 -2.446 19.765 -10.305 1.00 0.00 N ATOM 324 CA PHE A 47 -1.937 21.080 -9.907 1.00 0.00 C ATOM 325 C PHE A 47 -0.840 21.609 -10.855 1.00 0.00 C ATOM 326 O PHE A 47 0.350 21.652 -10.541 1.00 0.00 O ATOM 327 CB PHE A 47 -1.502 21.035 -8.434 1.00 0.00 C ATOM 328 CG PHE A 47 -1.409 22.409 -7.809 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.576 23.015 -7.314 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.177 23.083 -7.717 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.509 24.281 -6.714 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.113 24.356 -7.123 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.281 24.952 -6.614 1.00 0.00 C ATOM 0 H PHE A 47 -2.077 19.020 -9.714 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.743 21.808 -9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.211 20.431 -7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.533 20.541 -8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.525 22.506 -7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.720 22.622 -8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.406 24.741 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.832 24.875 -7.058 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.233 25.925 -6.147 1.00 0.00 H new ATOM 343 N SER A 48 -1.246 21.990 -12.065 1.00 0.00 N ATOM 344 CA SER A 48 -0.333 22.560 -13.065 1.00 0.00 C ATOM 345 C SER A 48 0.077 23.981 -12.659 1.00 0.00 C ATOM 346 O SER A 48 -0.758 24.763 -12.219 1.00 0.00 O ATOM 347 CB SER A 48 -0.940 22.547 -14.484 1.00 0.00 C ATOM 348 OG SER A 48 -2.338 22.277 -14.533 1.00 0.00 O ATOM 0 H SER A 48 -2.212 21.914 -12.383 1.00 0.00 H new ATOM 0 HA SER A 48 0.556 21.930 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.754 23.514 -14.952 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.418 21.798 -15.080 1.00 0.00 H new ATOM 0 HG SER A 48 -2.482 21.338 -14.772 1.00 0.00 H new ATOM 354 N LYS A 49 1.341 24.371 -12.891 1.00 0.00 N ATOM 355 CA LYS A 49 1.922 25.695 -12.545 1.00 0.00 C ATOM 356 C LYS A 49 1.024 26.905 -12.859 1.00 0.00 C ATOM 357 O LYS A 49 0.945 27.831 -12.060 1.00 0.00 O ATOM 358 CB LYS A 49 3.288 25.811 -13.256 1.00 0.00 C ATOM 359 CG LYS A 49 4.228 26.879 -12.668 1.00 0.00 C ATOM 360 CD LYS A 49 5.049 26.340 -11.484 1.00 0.00 C ATOM 361 CE LYS A 49 5.815 27.451 -10.749 1.00 0.00 C ATOM 362 NZ LYS A 49 6.885 28.065 -11.581 1.00 0.00 N ATOM 0 H LYS A 49 2.018 23.756 -13.341 1.00 0.00 H new ATOM 0 HA LYS A 49 2.030 25.730 -11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.788 24.843 -13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.117 26.036 -14.309 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.904 27.234 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.641 27.737 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.383 25.836 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.756 25.593 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.113 28.225 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.258 27.041 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.367 28.807 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.573 27.335 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.464 28.483 -12.435 1.00 0.00 H new ATOM 376 N ARG A 50 0.304 26.888 -13.987 1.00 0.00 N ATOM 377 CA ARG A 50 -0.687 27.916 -14.376 1.00 0.00 C ATOM 378 C ARG A 50 -1.784 28.174 -13.327 1.00 0.00 C ATOM 379 O ARG A 50 -2.234 29.308 -13.192 1.00 0.00 O ATOM 380 CB ARG A 50 -1.282 27.551 -15.752 1.00 0.00 C ATOM 381 CG ARG A 50 -2.183 26.300 -15.699 1.00 0.00 C ATOM 382 CD ARG A 50 -2.384 25.631 -17.063 1.00 0.00 C ATOM 383 NE ARG A 50 -2.914 24.263 -16.878 1.00 0.00 N ATOM 384 CZ ARG A 50 -3.030 23.297 -17.773 1.00 0.00 C ATOM 385 NH1 ARG A 50 -2.833 23.491 -19.048 1.00 0.00 N ATOM 386 NH2 ARG A 50 -3.367 22.110 -17.354 1.00 0.00 N ATOM 0 H ARG A 50 0.392 26.142 -14.677 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.155 28.865 -14.441 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.861 28.395 -16.128 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.471 27.380 -16.460 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.747 25.577 -15.010 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.156 26.580 -15.294 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.074 26.219 -17.668 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.438 25.594 -17.603 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.232 24.035 -15.936 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.578 24.418 -19.389 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.934 22.716 -19.703 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.533 21.948 -16.361 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.465 21.343 -18.019 1.00 0.00 H new ATOM 400 N VAL A 51 -2.186 27.148 -12.575 1.00 0.00 N ATOM 401 CA VAL A 51 -3.240 27.207 -11.552 1.00 0.00 C ATOM 402 C VAL A 51 -2.823 28.114 -10.385 1.00 0.00 C ATOM 403 O VAL A 51 -3.638 28.926 -9.937 1.00 0.00 O ATOM 404 CB VAL A 51 -3.626 25.778 -11.088 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.796 25.828 -10.107 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.077 24.901 -12.270 1.00 0.00 C ATOM 0 H VAL A 51 -1.774 26.219 -12.662 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.132 27.654 -11.990 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.736 25.356 -10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.051 24.816 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.514 26.418 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.658 26.286 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.339 23.907 -11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.946 25.354 -12.748 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.266 24.820 -12.993 1.00 0.00 H new ATOM 416 N GLN A 52 -1.546 28.077 -9.975 1.00 0.00 N ATOM 417 CA GLN A 52 -0.978 28.961 -8.945 1.00 0.00 C ATOM 418 C GLN A 52 -1.284 30.451 -9.184 1.00 0.00 C ATOM 419 O GLN A 52 -1.576 31.183 -8.236 1.00 0.00 O ATOM 420 CB GLN A 52 0.552 28.785 -8.862 1.00 0.00 C ATOM 421 CG GLN A 52 1.039 27.463 -8.262 1.00 0.00 C ATOM 422 CD GLN A 52 2.553 27.512 -8.044 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.350 27.459 -8.972 1.00 0.00 O ATOM 424 NE2 GLN A 52 3.021 27.663 -6.825 1.00 0.00 N ATOM 0 H GLN A 52 -0.866 27.420 -10.357 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.453 28.666 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.965 28.880 -9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.961 29.604 -8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.533 27.276 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.786 26.637 -8.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.378 27.710 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.027 27.733 -6.670 1.00 0.00 H new ATOM 433 N LYS A 53 -1.254 30.912 -10.447 1.00 0.00 N ATOM 434 CA LYS A 53 -1.562 32.308 -10.807 1.00 0.00 C ATOM 435 C LYS A 53 -2.951 32.723 -10.329 1.00 0.00 C ATOM 436 O LYS A 53 -3.096 33.773 -9.709 1.00 0.00 O ATOM 437 CB LYS A 53 -1.442 32.497 -12.331 1.00 0.00 C ATOM 438 CG LYS A 53 -1.549 33.956 -12.812 1.00 0.00 C ATOM 439 CD LYS A 53 -0.389 34.848 -12.345 1.00 0.00 C ATOM 440 CE LYS A 53 -0.545 36.253 -12.947 1.00 0.00 C ATOM 441 NZ LYS A 53 0.603 37.140 -12.623 1.00 0.00 N ATOM 0 H LYS A 53 -1.015 30.327 -11.248 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.838 32.950 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.485 32.090 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.221 31.911 -12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.589 33.968 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.488 34.379 -12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.377 34.907 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.563 34.414 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.644 36.172 -14.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.465 36.704 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.451 38.075 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.684 37.241 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.479 36.725 -13.000 1.00 0.00 H new ATOM 455 N SER A 54 -3.945 31.867 -10.586 1.00 0.00 N ATOM 456 CA SER A 54 -5.345 32.100 -10.228 1.00 0.00 C ATOM 457 C SER A 54 -5.527 32.187 -8.713 1.00 0.00 C ATOM 458 O SER A 54 -6.137 33.134 -8.223 1.00 0.00 O ATOM 459 CB SER A 54 -6.236 30.984 -10.794 1.00 0.00 C ATOM 460 OG SER A 54 -7.610 31.323 -10.673 1.00 0.00 O ATOM 0 H SER A 54 -3.794 30.975 -11.058 1.00 0.00 H new ATOM 0 HA SER A 54 -5.641 33.054 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.990 30.813 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.039 30.052 -10.264 1.00 0.00 H new ATOM 0 HG SER A 54 -8.159 30.599 -11.041 1.00 0.00 H new ATOM 466 N ILE A 55 -4.954 31.225 -7.978 1.00 0.00 N ATOM 467 CA ILE A 55 -5.021 31.125 -6.511 1.00 0.00 C ATOM 468 C ILE A 55 -4.405 32.377 -5.879 1.00 0.00 C ATOM 469 O ILE A 55 -5.043 33.036 -5.062 1.00 0.00 O ATOM 470 CB ILE A 55 -4.292 29.841 -6.044 1.00 0.00 C ATOM 471 CG1 ILE A 55 -4.943 28.581 -6.660 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.252 29.675 -4.515 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.160 27.303 -6.357 1.00 0.00 C ATOM 0 H ILE A 55 -4.413 30.470 -8.400 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.061 31.061 -6.191 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.265 29.952 -6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.959 28.479 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.019 28.708 -7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.726 28.754 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.732 30.523 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.270 29.630 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.663 26.451 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.152 27.389 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.106 27.157 -5.278 1.00 0.00 H new ATOM 485 N SER A 56 -3.204 32.758 -6.326 1.00 0.00 N ATOM 486 CA SER A 56 -2.475 33.926 -5.825 1.00 0.00 C ATOM 487 C SER A 56 -3.216 35.242 -6.082 1.00 0.00 C ATOM 488 O SER A 56 -3.397 36.029 -5.155 1.00 0.00 O ATOM 489 CB SER A 56 -1.102 33.962 -6.485 1.00 0.00 C ATOM 490 OG SER A 56 -0.275 34.913 -5.842 1.00 0.00 O ATOM 0 H SER A 56 -2.703 32.255 -7.058 1.00 0.00 H new ATOM 0 HA SER A 56 -2.383 33.828 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.641 32.976 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.204 34.213 -7.541 1.00 0.00 H new ATOM 0 HG SER A 56 0.605 34.926 -6.273 1.00 0.00 H new ATOM 496 N GLN A 57 -3.734 35.439 -7.302 1.00 0.00 N ATOM 497 CA GLN A 57 -4.564 36.598 -7.677 1.00 0.00 C ATOM 498 C GLN A 57 -5.875 36.694 -6.869 1.00 0.00 C ATOM 499 O GLN A 57 -6.516 37.739 -6.847 1.00 0.00 O ATOM 500 CB GLN A 57 -4.855 36.512 -9.187 1.00 0.00 C ATOM 501 CG GLN A 57 -5.380 37.821 -9.805 1.00 0.00 C ATOM 502 CD GLN A 57 -5.893 37.610 -11.223 1.00 0.00 C ATOM 503 OE1 GLN A 57 -5.414 36.779 -11.974 1.00 0.00 O ATOM 504 NE2 GLN A 57 -6.915 38.328 -11.630 1.00 0.00 N ATOM 0 H GLN A 57 -3.587 34.787 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.010 37.507 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.942 36.219 -9.705 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.587 35.723 -9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.182 38.220 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.583 38.564 -9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.326 39.027 -11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.298 38.186 -12.565 1.00 0.00 H new ATOM 513 N LYS A 58 -6.263 35.608 -6.191 1.00 0.00 N ATOM 514 CA LYS A 58 -7.490 35.495 -5.381 1.00 0.00 C ATOM 515 C LYS A 58 -7.201 35.260 -3.893 1.00 0.00 C ATOM 516 O LYS A 58 -8.129 35.048 -3.123 1.00 0.00 O ATOM 517 CB LYS A 58 -8.340 34.351 -5.942 1.00 0.00 C ATOM 518 CG LYS A 58 -8.883 34.629 -7.346 1.00 0.00 C ATOM 519 CD LYS A 58 -9.511 33.342 -7.895 1.00 0.00 C ATOM 520 CE LYS A 58 -10.067 33.545 -9.304 1.00 0.00 C ATOM 521 NZ LYS A 58 -8.966 33.822 -10.258 1.00 0.00 N ATOM 0 H LYS A 58 -5.713 34.749 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.026 36.442 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.741 33.441 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.176 34.165 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.625 35.427 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.080 34.967 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.764 32.549 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.311 33.015 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.614 32.656 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.776 34.373 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.365 34.058 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.399 34.622 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.361 32.981 -10.344 1.00 0.00 H new ATOM 535 N LYS A 59 -5.920 35.262 -3.501 1.00 0.00 N ATOM 536 CA LYS A 59 -5.395 34.950 -2.159 1.00 0.00 C ATOM 537 C LYS A 59 -6.016 33.703 -1.496 1.00 0.00 C ATOM 538 O LYS A 59 -6.106 33.647 -0.273 1.00 0.00 O ATOM 539 CB LYS A 59 -5.462 36.219 -1.275 1.00 0.00 C ATOM 540 CG LYS A 59 -4.698 37.454 -1.804 1.00 0.00 C ATOM 541 CD LYS A 59 -3.201 37.512 -1.449 1.00 0.00 C ATOM 542 CE LYS A 59 -2.386 36.370 -2.065 1.00 0.00 C ATOM 543 NZ LYS A 59 -0.930 36.541 -1.849 1.00 0.00 N ATOM 0 H LYS A 59 -5.172 35.497 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.351 34.660 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.509 36.492 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.073 35.971 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.797 37.483 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.180 38.351 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.792 38.464 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.091 37.484 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.707 35.422 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.589 36.317 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.419 35.746 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.617 37.432 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.731 36.565 -0.829 1.00 0.00 H new ATOM 557 N LEU A 60 -6.408 32.693 -2.284 1.00 0.00 N ATOM 558 CA LEU A 60 -6.908 31.408 -1.772 1.00 0.00 C ATOM 559 C LEU A 60 -5.871 30.733 -0.857 1.00 0.00 C ATOM 560 O LEU A 60 -4.687 30.674 -1.194 1.00 0.00 O ATOM 561 CB LEU A 60 -7.281 30.466 -2.939 1.00 0.00 C ATOM 562 CG LEU A 60 -8.762 30.329 -3.319 1.00 0.00 C ATOM 563 CD1 LEU A 60 -9.633 29.896 -2.144 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.297 31.609 -3.942 1.00 0.00 C ATOM 0 H LEU A 60 -6.387 32.744 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.803 31.610 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.741 30.803 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.907 29.471 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.813 29.536 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.670 29.815 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.292 28.928 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.560 30.634 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.348 31.477 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.198 32.429 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.729 31.840 -4.843 1.00 0.00 H new ATOM 576 N LYS A 61 -6.335 30.195 0.273 1.00 0.00 N ATOM 577 CA LYS A 61 -5.511 29.565 1.320 1.00 0.00 C ATOM 578 C LYS A 61 -5.252 28.070 1.044 1.00 0.00 C ATOM 579 O LYS A 61 -5.628 27.223 1.848 1.00 0.00 O ATOM 580 CB LYS A 61 -6.185 29.825 2.682 1.00 0.00 C ATOM 581 CG LYS A 61 -5.171 29.742 3.833 1.00 0.00 C ATOM 582 CD LYS A 61 -5.852 29.703 5.204 1.00 0.00 C ATOM 583 CE LYS A 61 -6.782 30.896 5.480 1.00 0.00 C ATOM 584 NZ LYS A 61 -8.207 30.487 5.493 1.00 0.00 N ATOM 0 H LYS A 61 -7.330 30.183 0.497 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.517 30.013 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.652 30.810 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.980 29.096 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.556 28.850 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.501 30.600 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.428 28.781 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.085 29.668 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.523 31.345 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.629 31.661 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.747 31.089 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.286 29.494 5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.589 30.591 6.455 1.00 0.00 H new ATOM 598 N LEU A 62 -4.658 27.767 -0.111 1.00 0.00 N ATOM 599 CA LEU A 62 -4.442 26.406 -0.618 1.00 0.00 C ATOM 600 C LEU A 62 -2.944 26.097 -0.768 1.00 0.00 C ATOM 601 O LEU A 62 -2.347 26.433 -1.793 1.00 0.00 O ATOM 602 CB LEU A 62 -5.195 26.245 -1.953 1.00 0.00 C ATOM 603 CG LEU A 62 -6.725 26.302 -1.863 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.277 26.342 -3.290 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.307 25.088 -1.147 1.00 0.00 C ATOM 0 H LEU A 62 -4.301 28.484 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.835 25.685 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.860 27.027 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.911 25.291 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.005 27.187 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.366 26.383 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.896 27.225 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.963 25.447 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.393 25.174 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.034 24.182 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.911 25.039 -0.133 1.00 0.00 H new ATOM 617 N ASP A 63 -2.345 25.502 0.267 1.00 0.00 N ATOM 618 CA ASP A 63 -0.931 25.090 0.274 1.00 0.00 C ATOM 619 C ASP A 63 -0.709 23.677 -0.315 1.00 0.00 C ATOM 620 O ASP A 63 -1.666 22.983 -0.662 1.00 0.00 O ATOM 621 CB ASP A 63 -0.289 25.292 1.661 1.00 0.00 C ATOM 622 CG ASP A 63 1.116 25.896 1.500 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.962 25.204 0.885 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.316 27.057 1.918 1.00 0.00 O ATOM 0 H ASP A 63 -2.832 25.288 1.138 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.401 25.756 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.911 25.950 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.227 24.339 2.186 1.00 0.00 H new ATOM 629 N ILE A 64 0.549 23.227 -0.416 1.00 0.00 N ATOM 630 CA ILE A 64 0.929 21.982 -1.115 1.00 0.00 C ATOM 631 C ILE A 64 1.798 21.007 -0.306 1.00 0.00 C ATOM 632 O ILE A 64 2.862 21.333 0.223 1.00 0.00 O ATOM 633 CB ILE A 64 1.651 22.347 -2.441 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.780 23.179 -3.411 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.163 21.092 -3.181 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.352 22.394 -4.086 1.00 0.00 C ATOM 0 H ILE A 64 1.345 23.720 -0.011 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.004 21.447 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 64 2.495 22.965 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.347 24.016 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.422 23.602 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.662 21.391 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.868 20.557 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.322 20.441 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.910 23.056 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.070 21.573 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.022 21.994 -3.325 1.00 0.00 H new ATOM 648 N ASP A 65 1.391 19.734 -0.347 1.00 0.00 N ATOM 649 CA ASP A 65 2.073 18.558 0.203 1.00 0.00 C ATOM 650 C ASP A 65 3.444 18.243 -0.456 1.00 0.00 C ATOM 651 O ASP A 65 3.619 17.346 -1.296 1.00 0.00 O ATOM 652 CB ASP A 65 1.083 17.386 0.185 1.00 0.00 C ATOM 653 CG ASP A 65 1.710 15.999 0.346 1.00 0.00 C ATOM 654 OD1 ASP A 65 2.621 15.838 1.190 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.194 15.054 -0.296 1.00 0.00 O ATOM 0 H ASP A 65 0.512 19.480 -0.798 1.00 0.00 H new ATOM 0 HA ASP A 65 2.362 18.767 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.356 17.533 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.532 17.411 -0.755 1.00 0.00 H new ATOM 660 N LYS A 66 4.466 19.004 -0.053 1.00 0.00 N ATOM 661 CA LYS A 66 5.863 18.768 -0.452 1.00 0.00 C ATOM 662 C LYS A 66 6.439 17.455 0.095 1.00 0.00 C ATOM 663 O LYS A 66 7.489 17.037 -0.386 1.00 0.00 O ATOM 664 CB LYS A 66 6.737 19.971 -0.061 1.00 0.00 C ATOM 665 CG LYS A 66 6.514 21.197 -0.961 1.00 0.00 C ATOM 666 CD LYS A 66 7.010 20.976 -2.404 1.00 0.00 C ATOM 667 CE LYS A 66 6.889 22.242 -3.262 1.00 0.00 C ATOM 668 NZ LYS A 66 7.701 23.359 -2.720 1.00 0.00 N ATOM 0 H LYS A 66 4.350 19.808 0.564 1.00 0.00 H new ATOM 0 HA LYS A 66 5.870 18.661 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.527 20.244 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.786 19.680 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.452 21.440 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.030 22.056 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.051 20.653 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.436 20.172 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.209 22.022 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.844 22.546 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.785 24.107 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.239 23.744 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.649 23.010 -2.471 1.00 0.00 H new ATOM 682 N SER A 67 5.777 16.777 1.032 1.00 0.00 N ATOM 683 CA SER A 67 6.172 15.452 1.536 1.00 0.00 C ATOM 684 C SER A 67 6.163 14.391 0.427 1.00 0.00 C ATOM 685 O SER A 67 7.088 13.580 0.354 1.00 0.00 O ATOM 686 CB SER A 67 5.269 14.985 2.697 1.00 0.00 C ATOM 687 OG SER A 67 4.345 15.979 3.100 1.00 0.00 O ATOM 0 H SER A 67 4.932 17.137 1.475 1.00 0.00 H new ATOM 0 HA SER A 67 7.191 15.563 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.725 14.090 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.891 14.706 3.547 1.00 0.00 H new ATOM 0 HG SER A 67 3.602 16.013 2.462 1.00 0.00 H new ATOM 693 N VAL A 68 5.177 14.440 -0.484 1.00 0.00 N ATOM 694 CA VAL A 68 5.023 13.481 -1.603 1.00 0.00 C ATOM 695 C VAL A 68 5.477 14.062 -2.952 1.00 0.00 C ATOM 696 O VAL A 68 5.766 13.306 -3.874 1.00 0.00 O ATOM 697 CB VAL A 68 3.571 12.956 -1.668 1.00 0.00 C ATOM 698 CG1 VAL A 68 3.338 11.904 -2.764 1.00 0.00 C ATOM 699 CG2 VAL A 68 3.179 12.299 -0.336 1.00 0.00 C ATOM 0 H VAL A 68 4.451 15.156 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 68 5.686 12.640 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 68 2.965 13.834 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.296 11.585 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.569 12.336 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.984 11.044 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.154 11.934 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.849 11.464 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.256 13.032 0.467 1.00 0.00 H new ATOM 709 N ARG A 69 5.608 15.393 -3.082 1.00 0.00 N ATOM 710 CA ARG A 69 6.144 16.091 -4.283 1.00 0.00 C ATOM 711 C ARG A 69 5.357 15.841 -5.584 1.00 0.00 C ATOM 712 O ARG A 69 5.873 16.077 -6.670 1.00 0.00 O ATOM 713 CB ARG A 69 7.662 15.804 -4.455 1.00 0.00 C ATOM 714 CG ARG A 69 8.481 16.234 -3.232 1.00 0.00 C ATOM 715 CD ARG A 69 9.973 15.855 -3.287 1.00 0.00 C ATOM 716 NE ARG A 69 10.209 14.400 -3.145 1.00 0.00 N ATOM 717 CZ ARG A 69 9.970 13.655 -2.076 1.00 0.00 C ATOM 718 NH1 ARG A 69 9.486 14.154 -0.974 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.220 12.376 -2.091 1.00 0.00 N ATOM 0 H ARG A 69 5.339 16.039 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 69 6.006 17.155 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.810 14.739 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.030 16.327 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.399 17.315 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.040 15.787 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.393 16.194 -4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.505 16.382 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 69 10.597 13.920 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.278 15.151 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.315 13.548 -0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.603 11.941 -2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.033 11.810 -1.263 1.00 0.00 H new ATOM 733 N HIS A 70 4.096 15.409 -5.482 1.00 0.00 N ATOM 734 CA HIS A 70 3.185 15.167 -6.615 1.00 0.00 C ATOM 735 C HIS A 70 2.194 16.324 -6.831 1.00 0.00 C ATOM 736 O HIS A 70 1.974 17.114 -5.916 1.00 0.00 O ATOM 737 CB HIS A 70 2.494 13.797 -6.434 1.00 0.00 C ATOM 738 CG HIS A 70 1.428 13.670 -5.354 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.481 12.657 -5.298 1.00 0.00 N ATOM 740 CD2 HIS A 70 1.216 14.480 -4.267 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.315 12.874 -4.229 1.00 0.00 C ATOM 742 NE2 HIS A 70 0.138 13.958 -3.571 1.00 0.00 N ATOM 0 H HIS A 70 3.663 15.210 -4.580 1.00 0.00 H new ATOM 0 HA HIS A 70 3.769 15.131 -7.535 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.039 13.525 -7.386 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.268 13.058 -6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.784 15.360 -4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.171 12.278 -3.949 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.248 14.332 -2.704 1.00 0.00 H new ATOM 751 N LEU A 71 1.548 16.374 -8.002 1.00 0.00 N ATOM 752 CA LEU A 71 0.650 17.453 -8.445 1.00 0.00 C ATOM 753 C LEU A 71 -0.779 16.937 -8.708 1.00 0.00 C ATOM 754 O LEU A 71 -1.335 17.186 -9.772 1.00 0.00 O ATOM 755 CB LEU A 71 1.233 18.117 -9.717 1.00 0.00 C ATOM 756 CG LEU A 71 2.672 18.654 -9.625 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.093 19.221 -10.982 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.813 19.758 -8.574 1.00 0.00 C ATOM 0 H LEU A 71 1.639 15.634 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 71 0.581 18.192 -7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.194 17.390 -10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.580 18.943 -9.998 1.00 0.00 H new ATOM 0 HG LEU A 71 3.310 17.820 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.112 19.601 -10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.047 18.434 -11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.420 20.032 -11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.846 20.104 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.158 20.590 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.536 19.366 -7.595 1.00 0.00 H new ATOM 770 N TYR A 72 -1.364 16.189 -7.776 1.00 0.00 N ATOM 771 CA TYR A 72 -2.694 15.579 -7.926 1.00 0.00 C ATOM 772 C TYR A 72 -3.670 16.177 -6.924 1.00 0.00 C ATOM 773 O TYR A 72 -3.298 16.389 -5.772 1.00 0.00 O ATOM 774 CB TYR A 72 -2.592 14.060 -7.725 1.00 0.00 C ATOM 775 CG TYR A 72 -2.216 13.327 -8.993 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.097 13.367 -10.091 1.00 0.00 C ATOM 777 CD2 TYR A 72 -1.000 12.626 -9.089 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.758 12.726 -11.294 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.672 11.955 -10.282 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.544 12.011 -11.391 1.00 0.00 C ATOM 781 OH TYR A 72 -1.200 11.378 -12.542 1.00 0.00 O ATOM 0 H TYR A 72 -0.925 15.983 -6.879 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.065 15.783 -8.930 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.850 13.849 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.547 13.681 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.037 13.893 -10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.320 12.603 -8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.424 12.780 -12.143 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.249 11.396 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.332 10.939 -12.427 1.00 0.00 H new ATOM 791 N ILE A 73 -4.907 16.436 -7.354 1.00 0.00 N ATOM 792 CA ILE A 73 -5.929 17.059 -6.513 1.00 0.00 C ATOM 793 C ILE A 73 -7.267 16.332 -6.644 1.00 0.00 C ATOM 794 O ILE A 73 -7.536 15.658 -7.639 1.00 0.00 O ATOM 795 CB ILE A 73 -6.075 18.581 -6.779 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.760 18.910 -8.121 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.715 19.293 -6.694 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.018 20.406 -8.362 1.00 0.00 C ATOM 0 H ILE A 73 -5.228 16.219 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.593 16.961 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.729 18.954 -5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.141 18.527 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.711 18.379 -8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.849 20.358 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.293 19.153 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.038 18.874 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.502 20.541 -9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.665 20.795 -7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.071 20.945 -8.352 1.00 0.00 H new ATOM 810 N CYS A 74 -8.114 16.479 -5.631 1.00 0.00 N ATOM 811 CA CYS A 74 -9.482 15.983 -5.666 1.00 0.00 C ATOM 812 C CYS A 74 -10.379 16.877 -6.551 1.00 0.00 C ATOM 813 O CYS A 74 -10.148 18.083 -6.716 1.00 0.00 O ATOM 814 CB CYS A 74 -9.988 15.860 -4.231 1.00 0.00 C ATOM 815 SG CYS A 74 -10.194 17.487 -3.459 1.00 0.00 S ATOM 0 H CYS A 74 -7.868 16.948 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.515 14.996 -6.127 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.940 15.329 -4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.287 15.265 -3.646 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.639 17.483 -2.284 1.00 0.00 H new ATOM 820 N ASP A 75 -11.456 16.310 -7.099 1.00 0.00 N ATOM 821 CA ASP A 75 -12.410 17.072 -7.918 1.00 0.00 C ATOM 822 C ASP A 75 -13.108 18.219 -7.159 1.00 0.00 C ATOM 823 O ASP A 75 -13.504 19.223 -7.757 1.00 0.00 O ATOM 824 CB ASP A 75 -13.419 16.125 -8.576 1.00 0.00 C ATOM 825 CG ASP A 75 -13.093 15.998 -10.062 1.00 0.00 C ATOM 826 OD1 ASP A 75 -12.094 15.319 -10.388 1.00 0.00 O ATOM 827 OD2 ASP A 75 -13.782 16.679 -10.856 1.00 0.00 O ATOM 0 H ASP A 75 -11.692 15.324 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.829 17.566 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.382 15.146 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.432 16.505 -8.445 1.00 0.00 H new ATOM 832 N PHE A 76 -13.207 18.108 -5.830 1.00 0.00 N ATOM 833 CA PHE A 76 -13.725 19.149 -4.936 1.00 0.00 C ATOM 834 C PHE A 76 -12.869 20.419 -5.088 1.00 0.00 C ATOM 835 O PHE A 76 -13.361 21.496 -5.435 1.00 0.00 O ATOM 836 CB PHE A 76 -13.705 18.584 -3.501 1.00 0.00 C ATOM 837 CG PHE A 76 -14.716 19.174 -2.538 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.636 20.526 -2.154 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.724 18.354 -1.990 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.557 21.053 -1.233 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.641 18.880 -1.064 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.555 20.230 -0.681 1.00 0.00 C ATOM 0 H PHE A 76 -12.920 17.266 -5.332 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.749 19.428 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.869 17.508 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.708 18.735 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.865 21.159 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.792 17.317 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.498 22.093 -0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.411 18.248 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.254 20.634 0.036 1.00 0.00 H new ATOM 852 N HIS A 77 -11.550 20.267 -4.922 1.00 0.00 N ATOM 853 CA HIS A 77 -10.588 21.347 -5.132 1.00 0.00 C ATOM 854 C HIS A 77 -10.457 21.765 -6.606 1.00 0.00 C ATOM 855 O HIS A 77 -10.271 22.955 -6.878 1.00 0.00 O ATOM 856 CB HIS A 77 -9.237 20.965 -4.515 1.00 0.00 C ATOM 857 CG HIS A 77 -9.121 21.290 -3.029 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.534 20.491 -2.025 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.556 22.443 -2.444 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.626 21.208 -0.884 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.264 22.361 -1.106 1.00 0.00 N ATOM 0 H HIS A 77 -11.121 19.386 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.969 22.232 -4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.073 19.897 -4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.443 21.484 -5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.041 23.269 -2.943 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.238 20.893 0.074 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.495 23.061 -0.401 1.00 0.00 H new ATOM 869 N LYS A 78 -10.644 20.844 -7.567 1.00 0.00 N ATOM 870 CA LYS A 78 -10.661 21.177 -9.005 1.00 0.00 C ATOM 871 C LYS A 78 -11.765 22.192 -9.336 1.00 0.00 C ATOM 872 O LYS A 78 -11.553 23.124 -10.114 1.00 0.00 O ATOM 873 CB LYS A 78 -10.870 19.899 -9.839 1.00 0.00 C ATOM 874 CG LYS A 78 -10.658 20.118 -11.352 1.00 0.00 C ATOM 875 CD LYS A 78 -11.228 18.977 -12.215 1.00 0.00 C ATOM 876 CE LYS A 78 -12.754 18.870 -12.192 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.434 19.947 -12.937 1.00 0.00 N ATOM 0 H LYS A 78 -10.787 19.853 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.700 21.627 -9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.182 19.129 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.880 19.524 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.127 21.057 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.591 20.218 -11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.901 19.119 -13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.804 18.033 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.049 17.908 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.095 18.885 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.464 19.812 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.182 20.868 -12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.137 19.921 -13.933 1.00 0.00 H new ATOM 891 N ASN A 79 -12.971 21.992 -8.784 1.00 0.00 N ATOM 892 CA ASN A 79 -14.099 22.916 -8.973 1.00 0.00 C ATOM 893 C ASN A 79 -13.934 24.185 -8.116 1.00 0.00 C ATOM 894 O ASN A 79 -14.282 25.260 -8.589 1.00 0.00 O ATOM 895 CB ASN A 79 -15.453 22.205 -8.720 1.00 0.00 C ATOM 896 CG ASN A 79 -16.666 22.845 -9.410 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.655 23.951 -9.935 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.778 22.148 -9.463 1.00 0.00 N ATOM 0 H ASN A 79 -13.191 21.188 -8.196 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.100 23.239 -10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.370 21.170 -9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.637 22.180 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.599 22.532 -9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.821 21.223 -9.036 1.00 0.00 H new ATOM 905 N PHE A 80 -13.346 24.111 -6.914 1.00 0.00 N ATOM 906 CA PHE A 80 -13.167 25.269 -6.021 1.00 0.00 C ATOM 907 C PHE A 80 -12.394 26.433 -6.664 1.00 0.00 C ATOM 908 O PHE A 80 -12.899 27.556 -6.711 1.00 0.00 O ATOM 909 CB PHE A 80 -12.478 24.804 -4.731 1.00 0.00 C ATOM 910 CG PHE A 80 -12.384 25.842 -3.629 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.536 26.537 -3.206 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.162 26.041 -2.955 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.470 27.421 -2.115 1.00 0.00 C ATOM 914 CE2 PHE A 80 -11.113 26.892 -1.842 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.260 27.581 -1.420 1.00 0.00 C ATOM 0 H PHE A 80 -12.978 23.241 -6.529 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.158 25.666 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.015 23.938 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.470 24.470 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.473 26.389 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.267 25.540 -3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.346 27.975 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.185 27.018 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.213 28.234 -0.561 1.00 0.00 H new ATOM 925 N ILE A 81 -11.226 26.159 -7.254 1.00 0.00 N ATOM 926 CA ILE A 81 -10.381 27.181 -7.904 1.00 0.00 C ATOM 927 C ILE A 81 -11.107 27.810 -9.117 1.00 0.00 C ATOM 928 O ILE A 81 -10.943 28.995 -9.419 1.00 0.00 O ATOM 929 CB ILE A 81 -9.011 26.555 -8.267 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.310 25.968 -7.011 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.105 27.608 -8.939 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.179 24.985 -7.335 1.00 0.00 C ATOM 0 H ILE A 81 -10.833 25.219 -7.297 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.193 28.004 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.189 25.738 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.907 26.787 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.053 25.462 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.145 27.156 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.583 27.972 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.946 28.441 -8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.739 24.618 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.579 24.145 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.415 25.491 -7.924 1.00 0.00 H new ATOM 944 N GLN A 82 -11.961 27.033 -9.797 1.00 0.00 N ATOM 945 CA GLN A 82 -12.830 27.522 -10.873 1.00 0.00 C ATOM 946 C GLN A 82 -14.043 28.286 -10.315 1.00 0.00 C ATOM 947 O GLN A 82 -14.509 29.224 -10.946 1.00 0.00 O ATOM 948 CB GLN A 82 -13.311 26.334 -11.725 1.00 0.00 C ATOM 949 CG GLN A 82 -12.248 25.884 -12.741 1.00 0.00 C ATOM 950 CD GLN A 82 -12.388 26.566 -14.105 1.00 0.00 C ATOM 951 OE1 GLN A 82 -12.817 27.708 -14.251 1.00 0.00 O ATOM 952 NE2 GLN A 82 -12.056 25.876 -15.175 1.00 0.00 N ATOM 0 H GLN A 82 -12.068 26.036 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.253 28.212 -11.488 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.564 25.499 -11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.222 26.613 -12.254 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.257 26.094 -12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.316 24.804 -12.874 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.698 24.926 -15.078 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.157 26.291 -16.101 1.00 0.00 H new