USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 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 78 LYS NZ :NH3+ -144:sc= 0.349 (180deg=-0.0129) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.295 K(o=0.64,f=-5) USER MOD Set 2.1: A 29 CYS SG : rot 142:sc= -0.531 USER MOD Set 2.2: A 38 CYS SG : rot 174:sc= 1.66 USER MOD Set 2.3: A 74 CYS SG : rot -135:sc= 0.823 USER MOD Set 2.4: A 77 HIS : no HD1:sc= -0.4 K(o=1.6,f=-6.3) USER MOD Set 3.1: A 57 GLN : amide:sc= -0.133 K(o=0.38,f=-4.7!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -126:sc= 0.518 (180deg=-0.203) USER MOD Set 4.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 52 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.4!) USER MOD Single : A 27 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.4) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -81:sc= 0.129 USER MOD Single : A 44 ASN : amide:sc= 0.139 K(o=0.14,f=-3.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= -0.0371 (180deg=-1.13) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 2 (180deg=0.352) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.99) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -2.573 8.230 -5.676 1.00 0.00 N ATOM 48 CA GLN A 27 -3.411 9.293 -6.219 1.00 0.00 C ATOM 49 C GLN A 27 -4.357 9.865 -5.163 1.00 0.00 C ATOM 50 O GLN A 27 -5.460 9.379 -4.925 1.00 0.00 O ATOM 51 CB GLN A 27 -4.194 8.774 -7.435 1.00 0.00 C ATOM 52 CG GLN A 27 -3.346 8.592 -8.707 1.00 0.00 C ATOM 53 CD GLN A 27 -2.425 7.375 -8.655 1.00 0.00 C ATOM 54 OE1 GLN A 27 -2.639 6.423 -7.920 1.00 0.00 O ATOM 55 NE2 GLN A 27 -1.335 7.367 -9.386 1.00 0.00 N ATOM 0 HA GLN A 27 -2.760 10.107 -6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.650 7.818 -7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.007 9.467 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.010 8.499 -9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.744 9.487 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.132 8.149 -10.008 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.690 6.578 -9.332 1.00 0.00 H new ATOM 64 N SER A 28 -3.897 10.937 -4.530 1.00 0.00 N ATOM 65 CA SER A 28 -4.657 11.760 -3.588 1.00 0.00 C ATOM 66 C SER A 28 -4.174 13.198 -3.738 1.00 0.00 C ATOM 67 O SER A 28 -3.040 13.423 -4.188 1.00 0.00 O ATOM 68 CB SER A 28 -4.517 11.309 -2.130 1.00 0.00 C ATOM 69 OG SER A 28 -4.480 9.904 -1.997 1.00 0.00 O ATOM 0 H SER A 28 -2.943 11.274 -4.663 1.00 0.00 H new ATOM 0 HA SER A 28 -5.716 11.661 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.606 11.734 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.351 11.703 -1.550 1.00 0.00 H new ATOM 0 HG SER A 28 -4.389 9.667 -1.050 1.00 0.00 H new ATOM 75 N CYS A 29 -5.045 14.147 -3.404 1.00 0.00 N ATOM 76 CA CYS A 29 -4.796 15.579 -3.504 1.00 0.00 C ATOM 77 C CYS A 29 -3.471 16.004 -2.827 1.00 0.00 C ATOM 78 O CYS A 29 -2.953 15.319 -1.938 1.00 0.00 O ATOM 79 CB CYS A 29 -6.043 16.247 -2.912 1.00 0.00 C ATOM 80 SG CYS A 29 -6.270 17.972 -3.458 1.00 0.00 S ATOM 0 H CYS A 29 -5.975 13.931 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.648 15.895 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.923 15.667 -3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.977 16.224 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.535 18.205 -3.644 1.00 0.00 H new ATOM 85 N CYS A 30 -2.892 17.121 -3.268 1.00 0.00 N ATOM 86 CA CYS A 30 -1.652 17.685 -2.718 1.00 0.00 C ATOM 87 C CYS A 30 -1.843 19.051 -2.055 1.00 0.00 C ATOM 88 O CYS A 30 -0.894 19.583 -1.473 1.00 0.00 O ATOM 89 CB CYS A 30 -0.577 17.710 -3.816 1.00 0.00 C ATOM 90 SG CYS A 30 -0.747 19.107 -4.968 1.00 0.00 S ATOM 0 H CYS A 30 -3.278 17.673 -4.034 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.319 17.036 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.407 17.753 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.623 16.778 -4.379 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.648 18.825 -5.862 1.00 0.00 H new ATOM 96 N LEU A 31 -3.062 19.597 -2.128 1.00 0.00 N ATOM 97 CA LEU A 31 -3.407 20.839 -1.454 1.00 0.00 C ATOM 98 C LEU A 31 -3.521 20.654 0.061 1.00 0.00 C ATOM 99 O LEU A 31 -3.765 19.559 0.565 1.00 0.00 O ATOM 100 CB LEU A 31 -4.710 21.425 -2.020 1.00 0.00 C ATOM 101 CG LEU A 31 -4.713 21.621 -3.544 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.890 22.498 -3.954 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.448 22.281 -4.082 1.00 0.00 C ATOM 0 H LEU A 31 -3.831 19.186 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.595 21.542 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.536 20.768 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.898 22.387 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.780 20.618 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.885 22.632 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.822 22.020 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.806 23.470 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.524 22.386 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.331 23.266 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.583 21.664 -3.837 1.00 0.00 H new ATOM 115 N ILE A 32 -3.400 21.757 0.777 1.00 0.00 N ATOM 116 CA ILE A 32 -3.520 21.863 2.229 1.00 0.00 C ATOM 117 C ILE A 32 -4.453 23.032 2.505 1.00 0.00 C ATOM 118 O ILE A 32 -4.299 24.071 1.873 1.00 0.00 O ATOM 119 CB ILE A 32 -2.123 22.117 2.845 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.161 20.949 2.547 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.220 22.381 4.358 1.00 0.00 C ATOM 122 CD1 ILE A 32 0.243 21.103 3.141 1.00 0.00 C ATOM 0 H ILE A 32 -3.204 22.658 0.340 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.915 20.948 2.670 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.715 23.013 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.602 20.028 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.072 20.837 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.223 22.556 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.842 23.258 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.664 21.516 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.846 20.234 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.710 22.003 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.172 21.182 4.226 1.00 0.00 H new ATOM 134 N GLU A 33 -5.393 22.903 3.435 1.00 0.00 N ATOM 135 CA GLU A 33 -6.250 24.023 3.836 1.00 0.00 C ATOM 136 C GLU A 33 -6.377 24.061 5.362 1.00 0.00 C ATOM 137 O GLU A 33 -6.727 23.068 5.987 1.00 0.00 O ATOM 138 CB GLU A 33 -7.593 23.986 3.086 1.00 0.00 C ATOM 139 CG GLU A 33 -8.061 25.438 2.914 1.00 0.00 C ATOM 140 CD GLU A 33 -9.395 25.637 2.195 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.763 24.814 1.323 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.999 26.698 2.504 1.00 0.00 O ATOM 0 H GLU A 33 -5.585 22.032 3.930 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.791 24.968 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.478 23.502 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.329 23.409 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.133 25.894 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.292 25.983 2.366 1.00 0.00 H new ATOM 149 N ASP A 34 -6.007 25.194 5.968 1.00 0.00 N ATOM 150 CA ASP A 34 -5.886 25.392 7.433 1.00 0.00 C ATOM 151 C ASP A 34 -4.913 24.397 8.118 1.00 0.00 C ATOM 152 O ASP A 34 -4.832 24.318 9.341 1.00 0.00 O ATOM 153 CB ASP A 34 -7.273 25.489 8.107 1.00 0.00 C ATOM 154 CG ASP A 34 -7.860 26.893 7.969 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.209 27.865 8.408 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.934 27.025 7.339 1.00 0.00 O ATOM 0 H ASP A 34 -5.773 26.035 5.440 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.408 26.360 7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.950 24.763 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.186 25.231 9.162 1.00 0.00 H new ATOM 161 N GLY A 35 -4.131 23.656 7.323 1.00 0.00 N ATOM 162 CA GLY A 35 -3.214 22.603 7.762 1.00 0.00 C ATOM 163 C GLY A 35 -3.726 21.198 7.435 1.00 0.00 C ATOM 164 O GLY A 35 -2.941 20.249 7.442 1.00 0.00 O ATOM 0 H GLY A 35 -4.122 23.782 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.244 22.751 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.059 22.687 8.838 1.00 0.00 H new ATOM 168 N GLU A 36 -5.012 21.038 7.102 1.00 0.00 N ATOM 169 CA GLU A 36 -5.560 19.758 6.651 1.00 0.00 C ATOM 170 C GLU A 36 -5.040 19.447 5.246 1.00 0.00 C ATOM 171 O GLU A 36 -5.457 20.062 4.262 1.00 0.00 O ATOM 172 CB GLU A 36 -7.103 19.732 6.679 1.00 0.00 C ATOM 173 CG GLU A 36 -7.600 18.316 6.304 1.00 0.00 C ATOM 174 CD GLU A 36 -9.122 18.109 6.406 1.00 0.00 C ATOM 175 OE1 GLU A 36 -9.601 17.961 7.555 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.791 18.009 5.347 1.00 0.00 O ATOM 0 H GLU A 36 -5.699 21.791 7.138 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.225 18.989 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.464 20.006 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.503 20.467 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.287 18.097 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.106 17.591 6.952 1.00 0.00 H new ATOM 183 N ARG A 37 -4.100 18.502 5.138 1.00 0.00 N ATOM 184 CA ARG A 37 -3.615 17.996 3.849 1.00 0.00 C ATOM 185 C ARG A 37 -4.788 17.267 3.186 1.00 0.00 C ATOM 186 O ARG A 37 -5.190 16.217 3.677 1.00 0.00 O ATOM 187 CB ARG A 37 -2.406 17.062 4.077 1.00 0.00 C ATOM 188 CG ARG A 37 -1.379 17.012 2.935 1.00 0.00 C ATOM 189 CD ARG A 37 -1.934 16.803 1.515 1.00 0.00 C ATOM 190 NE ARG A 37 -2.571 15.504 1.284 1.00 0.00 N ATOM 191 CZ ARG A 37 -2.038 14.304 1.266 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.785 14.051 1.521 1.00 0.00 N ATOM 193 NH2 ARG A 37 -2.812 13.306 0.955 1.00 0.00 N ATOM 0 H ARG A 37 -3.653 18.065 5.944 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.272 18.801 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.895 17.375 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.778 16.052 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.813 17.943 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.674 16.208 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.660 17.589 1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.119 16.923 0.801 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.576 15.537 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.148 14.813 1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.442 13.091 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.794 13.471 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.436 12.358 0.930 1.00 0.00 H new ATOM 207 N CYS A 38 -5.358 17.813 2.113 1.00 0.00 N ATOM 208 CA CYS A 38 -6.503 17.233 1.417 1.00 0.00 C ATOM 209 C CYS A 38 -6.199 15.772 1.039 1.00 0.00 C ATOM 210 O CYS A 38 -5.217 15.446 0.366 1.00 0.00 O ATOM 211 CB CYS A 38 -6.851 18.154 0.236 1.00 0.00 C ATOM 212 SG CYS A 38 -8.513 17.829 -0.468 1.00 0.00 S ATOM 0 H CYS A 38 -5.031 18.685 1.697 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.390 17.178 2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.800 19.192 0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.102 18.030 -0.546 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.783 18.722 -1.374 1.00 0.00 H new ATOM 217 N VAL A 39 -7.024 14.859 1.540 1.00 0.00 N ATOM 218 CA VAL A 39 -6.845 13.397 1.411 1.00 0.00 C ATOM 219 C VAL A 39 -7.823 12.761 0.429 1.00 0.00 C ATOM 220 O VAL A 39 -7.803 11.550 0.225 1.00 0.00 O ATOM 221 CB VAL A 39 -6.864 12.712 2.791 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.469 12.785 3.413 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.860 13.351 3.765 1.00 0.00 C ATOM 0 H VAL A 39 -7.862 15.111 2.064 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.857 13.235 0.979 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.176 11.681 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.480 12.301 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.755 12.278 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.176 13.829 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.826 12.824 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.597 14.398 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.866 13.287 3.351 1.00 0.00 H new ATOM 233 N ARG A 40 -8.648 13.582 -0.229 1.00 0.00 N ATOM 234 CA ARG A 40 -9.558 13.157 -1.296 1.00 0.00 C ATOM 235 C ARG A 40 -8.771 12.491 -2.445 1.00 0.00 C ATOM 236 O ARG A 40 -7.628 12.895 -2.708 1.00 0.00 O ATOM 237 CB ARG A 40 -10.336 14.379 -1.801 1.00 0.00 C ATOM 238 CG ARG A 40 -11.350 14.920 -0.783 1.00 0.00 C ATOM 239 CD ARG A 40 -11.999 16.195 -1.338 1.00 0.00 C ATOM 240 NE ARG A 40 -13.024 16.744 -0.432 1.00 0.00 N ATOM 241 CZ ARG A 40 -12.822 17.432 0.679 1.00 0.00 C ATOM 242 NH1 ARG A 40 -11.626 17.758 1.096 1.00 0.00 N ATOM 243 NH2 ARG A 40 -13.847 17.809 1.391 1.00 0.00 N ATOM 0 H ARG A 40 -8.702 14.581 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.260 12.419 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.630 15.170 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.860 14.113 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.113 14.169 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.853 15.134 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.229 16.947 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.452 15.977 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.996 16.575 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.805 17.480 0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.514 18.290 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.792 17.573 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.704 18.340 2.250 1.00 0.00 H new ATOM 257 N PRO A 41 -9.354 11.495 -3.140 1.00 0.00 N ATOM 258 CA PRO A 41 -8.688 10.793 -4.236 1.00 0.00 C ATOM 259 C PRO A 41 -8.413 11.753 -5.397 1.00 0.00 C ATOM 260 O PRO A 41 -9.305 12.480 -5.829 1.00 0.00 O ATOM 261 CB PRO A 41 -9.641 9.660 -4.635 1.00 0.00 C ATOM 262 CG PRO A 41 -11.018 10.183 -4.230 1.00 0.00 C ATOM 263 CD PRO A 41 -10.721 11.011 -2.983 1.00 0.00 C ATOM 0 HA PRO A 41 -7.716 10.394 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.590 9.452 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.398 8.732 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.467 10.788 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.712 9.369 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.421 11.841 -2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.820 10.408 -2.081 1.00 0.00 H new ATOM 271 N ALA A 42 -7.176 11.783 -5.892 1.00 0.00 N ATOM 272 CA ALA A 42 -6.862 12.583 -7.072 1.00 0.00 C ATOM 273 C ALA A 42 -7.322 11.875 -8.354 1.00 0.00 C ATOM 274 O ALA A 42 -7.351 10.647 -8.422 1.00 0.00 O ATOM 275 CB ALA A 42 -5.366 12.891 -7.126 1.00 0.00 C ATOM 0 H ALA A 42 -6.386 11.270 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.404 13.526 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.149 13.488 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.076 13.447 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.804 11.958 -7.171 1.00 0.00 H new ATOM 281 N GLY A 43 -7.607 12.662 -9.391 1.00 0.00 N ATOM 282 CA GLY A 43 -8.006 12.159 -10.708 1.00 0.00 C ATOM 283 C GLY A 43 -7.390 12.978 -11.839 1.00 0.00 C ATOM 284 O GLY A 43 -6.279 13.486 -11.716 1.00 0.00 O ATOM 0 H GLY A 43 -7.567 13.680 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.702 11.117 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.092 12.183 -10.792 1.00 0.00 H new ATOM 288 N ASN A 44 -8.135 13.153 -12.932 1.00 0.00 N ATOM 289 CA ASN A 44 -7.746 13.966 -14.096 1.00 0.00 C ATOM 290 C ASN A 44 -7.373 15.430 -13.758 1.00 0.00 C ATOM 291 O ASN A 44 -6.813 16.125 -14.604 1.00 0.00 O ATOM 292 CB ASN A 44 -8.891 13.960 -15.131 1.00 0.00 C ATOM 293 CG ASN A 44 -9.320 12.579 -15.605 1.00 0.00 C ATOM 294 OD1 ASN A 44 -9.692 11.721 -14.828 1.00 0.00 O ATOM 295 ND2 ASN A 44 -9.303 12.330 -16.892 1.00 0.00 N ATOM 0 H ASN A 44 -9.053 12.722 -13.039 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.842 13.506 -14.496 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.755 14.464 -14.698 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.581 14.545 -15.997 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.601 11.418 -17.239 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.991 13.048 -17.546 1.00 0.00 H new ATOM 302 N ALA A 45 -7.719 15.918 -12.560 1.00 0.00 N ATOM 303 CA ALA A 45 -7.345 17.239 -12.068 1.00 0.00 C ATOM 304 C ALA A 45 -5.866 17.308 -11.630 1.00 0.00 C ATOM 305 O ALA A 45 -5.428 16.616 -10.708 1.00 0.00 O ATOM 306 CB ALA A 45 -8.290 17.607 -10.917 1.00 0.00 C ATOM 0 H ALA A 45 -8.281 15.388 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.444 17.961 -12.878 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.029 18.593 -10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.318 17.620 -11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.196 16.870 -10.119 1.00 0.00 H new ATOM 312 N SER A 46 -5.101 18.212 -12.248 1.00 0.00 N ATOM 313 CA SER A 46 -3.697 18.444 -11.903 1.00 0.00 C ATOM 314 C SER A 46 -3.421 19.919 -11.623 1.00 0.00 C ATOM 315 O SER A 46 -4.059 20.830 -12.151 1.00 0.00 O ATOM 316 CB SER A 46 -2.747 17.894 -12.974 1.00 0.00 C ATOM 317 OG SER A 46 -3.136 18.330 -14.258 1.00 0.00 O ATOM 0 H SER A 46 -5.440 18.806 -13.005 1.00 0.00 H new ATOM 0 HA SER A 46 -3.503 17.893 -10.983 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.728 18.222 -12.766 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.744 16.805 -12.940 1.00 0.00 H new ATOM 0 HG SER A 46 -2.517 17.970 -14.927 1.00 0.00 H new ATOM 323 N PHE A 47 -2.449 20.148 -10.746 1.00 0.00 N ATOM 324 CA PHE A 47 -2.072 21.461 -10.225 1.00 0.00 C ATOM 325 C PHE A 47 -1.168 22.264 -11.180 1.00 0.00 C ATOM 326 O PHE A 47 -0.119 22.795 -10.792 1.00 0.00 O ATOM 327 CB PHE A 47 -1.477 21.295 -8.817 1.00 0.00 C ATOM 328 CG PHE A 47 -1.623 22.559 -8.004 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.914 23.049 -7.747 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.495 23.260 -7.539 1.00 0.00 C ATOM 331 CE1 PHE A 47 -3.083 24.245 -7.043 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.668 24.457 -6.824 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.963 24.949 -6.579 1.00 0.00 C ATOM 0 H PHE A 47 -1.878 19.395 -10.362 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.972 22.071 -10.149 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.975 20.472 -8.305 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.422 21.031 -8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.778 22.501 -8.094 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.498 22.880 -7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.076 24.626 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.193 24.999 -6.462 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.095 25.871 -6.032 1.00 0.00 H new ATOM 343 N SER A 48 -1.542 22.310 -12.462 1.00 0.00 N ATOM 344 CA SER A 48 -0.770 22.963 -13.522 1.00 0.00 C ATOM 345 C SER A 48 -0.410 24.405 -13.154 1.00 0.00 C ATOM 346 O SER A 48 -1.211 25.140 -12.580 1.00 0.00 O ATOM 347 CB SER A 48 -1.510 22.958 -14.872 1.00 0.00 C ATOM 348 OG SER A 48 -2.632 22.096 -14.909 1.00 0.00 O ATOM 0 H SER A 48 -2.407 21.886 -12.798 1.00 0.00 H new ATOM 0 HA SER A 48 0.145 22.379 -13.625 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.836 23.973 -15.100 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.812 22.664 -15.656 1.00 0.00 H new ATOM 0 HG SER A 48 -3.053 22.145 -15.793 1.00 0.00 H new ATOM 354 N LYS A 49 0.783 24.864 -13.541 1.00 0.00 N ATOM 355 CA LYS A 49 1.316 26.189 -13.171 1.00 0.00 C ATOM 356 C LYS A 49 0.369 27.359 -13.502 1.00 0.00 C ATOM 357 O LYS A 49 0.389 28.372 -12.807 1.00 0.00 O ATOM 358 CB LYS A 49 2.681 26.324 -13.875 1.00 0.00 C ATOM 359 CG LYS A 49 3.556 27.527 -13.462 1.00 0.00 C ATOM 360 CD LYS A 49 4.824 27.129 -12.687 1.00 0.00 C ATOM 361 CE LYS A 49 4.435 26.601 -11.309 1.00 0.00 C ATOM 362 NZ LYS A 49 5.592 26.310 -10.431 1.00 0.00 N ATOM 0 H LYS A 49 1.418 24.323 -14.128 1.00 0.00 H new ATOM 0 HA LYS A 49 1.422 26.249 -12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.249 25.412 -13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.506 26.383 -14.949 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.845 28.079 -14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.962 28.204 -12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.375 26.367 -13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.485 27.989 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.793 27.333 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.846 25.692 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.252 25.956 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.195 25.590 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.143 27.180 -10.283 1.00 0.00 H new ATOM 376 N ARG A 50 -0.475 27.232 -14.537 1.00 0.00 N ATOM 377 CA ARG A 50 -1.516 28.224 -14.885 1.00 0.00 C ATOM 378 C ARG A 50 -2.598 28.349 -13.800 1.00 0.00 C ATOM 379 O ARG A 50 -3.018 29.464 -13.511 1.00 0.00 O ATOM 380 CB ARG A 50 -2.128 27.864 -16.253 1.00 0.00 C ATOM 381 CG ARG A 50 -3.008 28.982 -16.840 1.00 0.00 C ATOM 382 CD ARG A 50 -3.531 28.590 -18.232 1.00 0.00 C ATOM 383 NE ARG A 50 -4.254 29.705 -18.879 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.752 29.721 -20.106 1.00 0.00 C ATOM 385 NH1 ARG A 50 -4.671 28.693 -20.900 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.349 30.786 -20.566 1.00 0.00 N ATOM 0 H ARG A 50 -0.458 26.430 -15.166 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.043 29.204 -14.949 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.325 27.638 -16.954 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.725 26.958 -16.149 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.847 29.178 -16.173 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.433 29.905 -16.909 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.695 28.284 -18.862 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.194 27.730 -18.142 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.383 30.550 -18.323 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.212 27.839 -20.583 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.066 28.742 -21.839 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.435 31.616 -19.979 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.729 30.789 -21.512 1.00 0.00 H new ATOM 400 N VAL A 51 -2.998 27.227 -13.195 1.00 0.00 N ATOM 401 CA VAL A 51 -4.041 27.119 -12.158 1.00 0.00 C ATOM 402 C VAL A 51 -3.590 27.771 -10.855 1.00 0.00 C ATOM 403 O VAL A 51 -4.299 28.607 -10.302 1.00 0.00 O ATOM 404 CB VAL A 51 -4.386 25.629 -11.893 1.00 0.00 C ATOM 405 CG1 VAL A 51 -5.413 25.448 -10.776 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.924 24.953 -13.159 1.00 0.00 C ATOM 0 H VAL A 51 -2.586 26.322 -13.423 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.926 27.640 -12.523 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.451 25.162 -11.583 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.615 24.386 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.021 25.868 -9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.337 25.960 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.157 23.910 -12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.827 25.466 -13.490 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.171 25.001 -13.945 1.00 0.00 H new ATOM 416 N GLN A 52 -2.385 27.437 -10.384 1.00 0.00 N ATOM 417 CA GLN A 52 -1.900 27.890 -9.077 1.00 0.00 C ATOM 418 C GLN A 52 -1.747 29.418 -8.949 1.00 0.00 C ATOM 419 O GLN A 52 -1.915 29.987 -7.872 1.00 0.00 O ATOM 420 CB GLN A 52 -0.661 27.068 -8.712 1.00 0.00 C ATOM 421 CG GLN A 52 0.660 27.479 -9.349 1.00 0.00 C ATOM 422 CD GLN A 52 1.729 26.378 -9.272 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.887 26.606 -8.950 1.00 0.00 O ATOM 424 NE2 GLN A 52 1.437 25.145 -9.636 1.00 0.00 N ATOM 0 H GLN A 52 -1.723 26.850 -10.893 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.664 27.697 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.539 27.103 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.855 26.029 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.488 27.739 -10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.033 28.376 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.485 24.907 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.163 24.429 -9.641 1.00 0.00 H new ATOM 433 N LYS A 53 -1.500 30.103 -10.070 1.00 0.00 N ATOM 434 CA LYS A 53 -1.466 31.575 -10.140 1.00 0.00 C ATOM 435 C LYS A 53 -2.824 32.210 -9.811 1.00 0.00 C ATOM 436 O LYS A 53 -2.856 33.263 -9.180 1.00 0.00 O ATOM 437 CB LYS A 53 -1.009 32.020 -11.525 1.00 0.00 C ATOM 438 CG LYS A 53 0.494 31.761 -11.696 1.00 0.00 C ATOM 439 CD LYS A 53 0.891 31.897 -13.163 1.00 0.00 C ATOM 440 CE LYS A 53 0.801 33.328 -13.726 1.00 0.00 C ATOM 441 NZ LYS A 53 1.796 34.253 -13.120 1.00 0.00 N ATOM 0 H LYS A 53 -1.316 29.651 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.757 31.917 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.568 31.482 -12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.221 33.080 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.063 32.467 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.741 30.762 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.913 31.538 -13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.252 31.246 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.951 33.298 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.202 33.718 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.689 35.200 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.640 34.307 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.756 33.900 -13.306 1.00 0.00 H new ATOM 455 N SER A 54 -3.923 31.559 -10.195 1.00 0.00 N ATOM 456 CA SER A 54 -5.285 31.996 -9.851 1.00 0.00 C ATOM 457 C SER A 54 -5.498 32.074 -8.334 1.00 0.00 C ATOM 458 O SER A 54 -5.949 33.098 -7.824 1.00 0.00 O ATOM 459 CB SER A 54 -6.321 31.050 -10.473 1.00 0.00 C ATOM 460 OG SER A 54 -7.556 31.716 -10.629 1.00 0.00 O ATOM 0 H SER A 54 -3.897 30.708 -10.757 1.00 0.00 H new ATOM 0 HA SER A 54 -5.415 32.999 -10.258 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.966 30.695 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.450 30.172 -9.839 1.00 0.00 H new ATOM 0 HG SER A 54 -8.209 31.104 -11.028 1.00 0.00 H new ATOM 466 N ILE A 55 -5.106 31.018 -7.607 1.00 0.00 N ATOM 467 CA ILE A 55 -5.219 30.910 -6.139 1.00 0.00 C ATOM 468 C ILE A 55 -4.494 32.078 -5.464 1.00 0.00 C ATOM 469 O ILE A 55 -5.044 32.753 -4.595 1.00 0.00 O ATOM 470 CB ILE A 55 -4.630 29.563 -5.653 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.468 28.390 -6.197 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.606 29.470 -4.113 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.735 27.057 -6.067 1.00 0.00 C ATOM 0 H ILE A 55 -4.689 30.190 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.274 30.949 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.607 29.509 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.413 28.338 -5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.709 28.571 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.186 28.510 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.994 30.276 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.622 29.558 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.361 26.257 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.802 27.099 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.518 26.862 -5.017 1.00 0.00 H new ATOM 485 N SER A 56 -3.264 32.352 -5.908 1.00 0.00 N ATOM 486 CA SER A 56 -2.441 33.458 -5.411 1.00 0.00 C ATOM 487 C SER A 56 -3.141 34.816 -5.581 1.00 0.00 C ATOM 488 O SER A 56 -3.308 35.547 -4.604 1.00 0.00 O ATOM 489 CB SER A 56 -1.102 33.428 -6.142 1.00 0.00 C ATOM 490 OG SER A 56 -0.190 34.324 -5.549 1.00 0.00 O ATOM 0 H SER A 56 -2.805 31.803 -6.635 1.00 0.00 H new ATOM 0 HA SER A 56 -2.280 33.332 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.693 32.418 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.248 33.691 -7.190 1.00 0.00 H new ATOM 0 HG SER A 56 0.663 34.289 -6.030 1.00 0.00 H new ATOM 496 N GLN A 57 -3.690 35.105 -6.771 1.00 0.00 N ATOM 497 CA GLN A 57 -4.492 36.312 -7.052 1.00 0.00 C ATOM 498 C GLN A 57 -5.889 36.319 -6.375 1.00 0.00 C ATOM 499 O GLN A 57 -6.749 37.154 -6.682 1.00 0.00 O ATOM 500 CB GLN A 57 -4.616 36.492 -8.572 1.00 0.00 C ATOM 501 CG GLN A 57 -4.824 37.970 -8.960 1.00 0.00 C ATOM 502 CD GLN A 57 -5.701 38.131 -10.195 1.00 0.00 C ATOM 503 OE1 GLN A 57 -6.789 37.575 -10.294 1.00 0.00 O ATOM 504 NE2 GLN A 57 -5.282 38.908 -11.168 1.00 0.00 N ATOM 0 H GLN A 57 -3.588 34.496 -7.583 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.962 37.156 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.717 36.112 -9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.452 35.898 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.279 38.501 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.855 38.434 -9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.378 39.375 -11.095 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.861 39.044 -11.997 1.00 0.00 H new ATOM 513 N LYS A 58 -6.142 35.363 -5.477 1.00 0.00 N ATOM 514 CA LYS A 58 -7.343 35.257 -4.631 1.00 0.00 C ATOM 515 C LYS A 58 -6.992 35.115 -3.145 1.00 0.00 C ATOM 516 O LYS A 58 -7.874 35.255 -2.305 1.00 0.00 O ATOM 517 CB LYS A 58 -8.236 34.103 -5.133 1.00 0.00 C ATOM 518 CG LYS A 58 -8.752 34.322 -6.567 1.00 0.00 C ATOM 519 CD LYS A 58 -9.823 35.424 -6.672 1.00 0.00 C ATOM 520 CE LYS A 58 -10.067 35.849 -8.126 1.00 0.00 C ATOM 521 NZ LYS A 58 -8.899 36.591 -8.672 1.00 0.00 N ATOM 0 H LYS A 58 -5.484 34.602 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.906 36.186 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.672 33.171 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.086 33.990 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.912 34.580 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.166 33.386 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.756 35.066 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.511 36.290 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.260 34.968 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.957 36.476 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.215 37.507 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.204 36.751 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.459 36.035 -9.433 1.00 0.00 H new ATOM 535 N LYS A 59 -5.703 34.937 -2.813 1.00 0.00 N ATOM 536 CA LYS A 59 -5.144 34.813 -1.451 1.00 0.00 C ATOM 537 C LYS A 59 -5.918 33.821 -0.564 1.00 0.00 C ATOM 538 O LYS A 59 -6.156 34.088 0.612 1.00 0.00 O ATOM 539 CB LYS A 59 -4.995 36.210 -0.818 1.00 0.00 C ATOM 540 CG LYS A 59 -4.133 37.169 -1.660 1.00 0.00 C ATOM 541 CD LYS A 59 -3.867 38.527 -0.990 1.00 0.00 C ATOM 542 CE LYS A 59 -5.126 39.392 -0.798 1.00 0.00 C ATOM 543 NZ LYS A 59 -5.879 39.056 0.439 1.00 0.00 N ATOM 0 H LYS A 59 -4.978 34.872 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.150 34.374 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.984 36.647 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.551 36.108 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.178 36.689 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.627 37.339 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.405 38.356 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.147 39.082 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.837 40.442 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.781 39.267 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.866 38.836 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.443 38.230 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.855 39.866 1.091 1.00 0.00 H new ATOM 557 N LEU A 60 -6.352 32.708 -1.160 1.00 0.00 N ATOM 558 CA LEU A 60 -7.034 31.601 -0.484 1.00 0.00 C ATOM 559 C LEU A 60 -6.079 30.838 0.457 1.00 0.00 C ATOM 560 O LEU A 60 -4.871 30.832 0.241 1.00 0.00 O ATOM 561 CB LEU A 60 -7.592 30.652 -1.560 1.00 0.00 C ATOM 562 CG LEU A 60 -8.717 31.217 -2.447 1.00 0.00 C ATOM 563 CD1 LEU A 60 -9.011 30.226 -3.574 1.00 0.00 C ATOM 564 CD2 LEU A 60 -10.005 31.481 -1.668 1.00 0.00 C ATOM 0 H LEU A 60 -6.234 32.547 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.841 31.999 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.769 30.344 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.963 29.754 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.372 32.172 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.807 30.620 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.112 30.078 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.324 29.273 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.763 31.878 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.362 30.549 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.810 32.204 -0.876 1.00 0.00 H new ATOM 576 N LYS A 61 -6.634 30.142 1.457 1.00 0.00 N ATOM 577 CA LYS A 61 -5.917 29.364 2.495 1.00 0.00 C ATOM 578 C LYS A 61 -5.247 28.068 1.983 1.00 0.00 C ATOM 579 O LYS A 61 -5.049 27.149 2.769 1.00 0.00 O ATOM 580 CB LYS A 61 -6.919 29.023 3.623 1.00 0.00 C ATOM 581 CG LYS A 61 -7.523 30.251 4.319 1.00 0.00 C ATOM 582 CD LYS A 61 -8.382 29.881 5.540 1.00 0.00 C ATOM 583 CE LYS A 61 -9.774 29.308 5.220 1.00 0.00 C ATOM 584 NZ LYS A 61 -9.775 27.851 4.959 1.00 0.00 N ATOM 0 H LYS A 61 -7.646 30.099 1.577 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.098 29.990 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.727 28.421 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.415 28.408 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.719 30.916 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.133 30.804 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.837 29.152 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.507 30.770 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.444 29.519 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.177 29.824 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.716 27.462 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.542 27.677 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.067 27.389 5.565 1.00 0.00 H new ATOM 598 N LEU A 62 -4.952 27.969 0.684 1.00 0.00 N ATOM 599 CA LEU A 62 -4.464 26.749 0.032 1.00 0.00 C ATOM 600 C LEU A 62 -2.933 26.675 -0.093 1.00 0.00 C ATOM 601 O LEU A 62 -2.350 27.451 -0.847 1.00 0.00 O ATOM 602 CB LEU A 62 -5.156 26.603 -1.339 1.00 0.00 C ATOM 603 CG LEU A 62 -6.654 26.288 -1.258 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.211 26.343 -2.677 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.944 24.897 -0.702 1.00 0.00 C ATOM 0 H LEU A 62 -5.048 28.754 0.040 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.726 25.908 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.021 27.527 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.660 25.812 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.112 27.015 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.278 26.123 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.053 27.339 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.700 25.607 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.021 24.735 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.483 24.146 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.535 24.815 0.305 1.00 0.00 H new ATOM 617 N ASP A 63 -2.309 25.714 0.595 1.00 0.00 N ATOM 618 CA ASP A 63 -0.857 25.449 0.531 1.00 0.00 C ATOM 619 C ASP A 63 -0.549 24.100 -0.156 1.00 0.00 C ATOM 620 O ASP A 63 -1.462 23.399 -0.598 1.00 0.00 O ATOM 621 CB ASP A 63 -0.216 25.626 1.929 1.00 0.00 C ATOM 622 CG ASP A 63 1.288 25.953 1.914 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.876 26.000 0.810 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.854 26.111 3.020 1.00 0.00 O ATOM 0 H ASP A 63 -2.803 25.083 1.226 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.384 26.191 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.741 26.423 2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.369 24.711 2.501 1.00 0.00 H new ATOM 629 N ILE A 64 0.729 23.714 -0.270 1.00 0.00 N ATOM 630 CA ILE A 64 1.171 22.535 -1.042 1.00 0.00 C ATOM 631 C ILE A 64 2.100 21.595 -0.270 1.00 0.00 C ATOM 632 O ILE A 64 3.187 21.964 0.182 1.00 0.00 O ATOM 633 CB ILE A 64 1.867 23.000 -2.346 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.977 23.901 -3.233 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.381 21.804 -3.178 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.261 23.202 -3.803 1.00 0.00 C ATOM 0 H ILE A 64 1.498 24.215 0.175 1.00 0.00 H new ATOM 0 HA ILE A 64 0.272 21.960 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 64 2.714 23.601 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.656 24.763 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.577 24.283 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.863 22.171 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.101 21.234 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.543 21.161 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.828 23.906 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.049 22.357 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.886 22.845 -2.985 1.00 0.00 H new ATOM 648 N ASP A 65 1.693 20.324 -0.228 1.00 0.00 N ATOM 649 CA ASP A 65 2.436 19.196 0.334 1.00 0.00 C ATOM 650 C ASP A 65 3.777 18.942 -0.392 1.00 0.00 C ATOM 651 O ASP A 65 3.858 18.406 -1.506 1.00 0.00 O ATOM 652 CB ASP A 65 1.504 17.980 0.315 1.00 0.00 C ATOM 653 CG ASP A 65 2.076 16.706 0.951 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.317 16.524 0.971 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.243 15.856 1.331 1.00 0.00 O ATOM 0 H ASP A 65 0.789 20.040 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 65 2.731 19.417 1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.581 18.242 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.239 17.762 -0.720 1.00 0.00 H new ATOM 660 N LYS A 66 4.866 19.318 0.288 1.00 0.00 N ATOM 661 CA LYS A 66 6.255 19.113 -0.150 1.00 0.00 C ATOM 662 C LYS A 66 6.708 17.649 -0.110 1.00 0.00 C ATOM 663 O LYS A 66 7.640 17.309 -0.839 1.00 0.00 O ATOM 664 CB LYS A 66 7.196 19.975 0.713 1.00 0.00 C ATOM 665 CG LYS A 66 6.967 21.488 0.562 1.00 0.00 C ATOM 666 CD LYS A 66 7.405 22.028 -0.806 1.00 0.00 C ATOM 667 CE LYS A 66 7.039 23.513 -0.880 1.00 0.00 C ATOM 668 NZ LYS A 66 7.550 24.138 -2.123 1.00 0.00 N ATOM 0 H LYS A 66 4.804 19.790 1.190 1.00 0.00 H new ATOM 0 HA LYS A 66 6.300 19.416 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.067 19.700 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.228 19.745 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.909 21.706 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.514 22.012 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.479 21.895 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.913 21.476 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.956 23.624 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.450 24.033 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.284 25.143 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.586 24.053 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.139 23.657 -2.948 1.00 0.00 H new ATOM 682 N SER A 67 6.084 16.799 0.708 1.00 0.00 N ATOM 683 CA SER A 67 6.466 15.392 0.887 1.00 0.00 C ATOM 684 C SER A 67 6.040 14.516 -0.293 1.00 0.00 C ATOM 685 O SER A 67 6.804 13.653 -0.716 1.00 0.00 O ATOM 686 CB SER A 67 5.847 14.845 2.179 1.00 0.00 C ATOM 687 OG SER A 67 6.564 13.701 2.604 1.00 0.00 O ATOM 0 H SER A 67 5.283 17.072 1.277 1.00 0.00 H new ATOM 0 HA SER A 67 7.554 15.359 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.869 15.609 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.801 14.589 2.013 1.00 0.00 H new ATOM 0 HG SER A 67 6.167 13.355 3.430 1.00 0.00 H new ATOM 693 N VAL A 68 4.851 14.761 -0.859 1.00 0.00 N ATOM 694 CA VAL A 68 4.369 14.067 -2.076 1.00 0.00 C ATOM 695 C VAL A 68 4.955 14.633 -3.371 1.00 0.00 C ATOM 696 O VAL A 68 4.877 13.975 -4.405 1.00 0.00 O ATOM 697 CB VAL A 68 2.832 14.084 -2.190 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.187 13.364 -1.006 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.267 15.502 -2.304 1.00 0.00 C ATOM 0 H VAL A 68 4.190 15.445 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 68 4.718 13.041 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 68 2.587 13.555 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.102 13.391 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.524 12.328 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.474 13.860 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.181 15.456 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.543 16.076 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.674 15.985 -3.192 1.00 0.00 H new ATOM 709 N ARG A 69 5.485 15.869 -3.340 1.00 0.00 N ATOM 710 CA ARG A 69 6.115 16.619 -4.453 1.00 0.00 C ATOM 711 C ARG A 69 5.431 16.473 -5.835 1.00 0.00 C ATOM 712 O ARG A 69 6.093 16.560 -6.865 1.00 0.00 O ATOM 713 CB ARG A 69 7.627 16.290 -4.490 1.00 0.00 C ATOM 714 CG ARG A 69 8.477 17.441 -5.067 1.00 0.00 C ATOM 715 CD ARG A 69 9.866 16.976 -5.529 1.00 0.00 C ATOM 716 NE ARG A 69 10.692 16.472 -4.416 1.00 0.00 N ATOM 717 CZ ARG A 69 11.929 16.016 -4.508 1.00 0.00 C ATOM 718 NH1 ARG A 69 12.579 15.993 -5.639 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.539 15.565 -3.450 1.00 0.00 N ATOM 0 H ARG A 69 5.487 16.413 -2.477 1.00 0.00 H new ATOM 0 HA ARG A 69 5.971 17.678 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.969 16.063 -3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.784 15.393 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.950 17.890 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.591 18.218 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.753 16.192 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.381 17.806 -6.013 1.00 0.00 H new ATOM 0 HE ARG A 69 10.269 16.476 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.133 16.334 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.533 15.634 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.062 15.563 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.494 15.213 -3.523 1.00 0.00 H new ATOM 733 N HIS A 70 4.104 16.301 -5.884 1.00 0.00 N ATOM 734 CA HIS A 70 3.340 16.035 -7.119 1.00 0.00 C ATOM 735 C HIS A 70 2.269 17.098 -7.400 1.00 0.00 C ATOM 736 O HIS A 70 1.832 17.808 -6.497 1.00 0.00 O ATOM 737 CB HIS A 70 2.795 14.583 -7.118 1.00 0.00 C ATOM 738 CG HIS A 70 1.623 14.233 -6.207 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.949 13.019 -6.193 1.00 0.00 N ATOM 740 CD2 HIS A 70 1.012 15.025 -5.270 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.050 13.089 -5.290 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.025 14.298 -4.709 1.00 0.00 N ATOM 0 H HIS A 70 3.516 16.343 -5.052 1.00 0.00 H new ATOM 0 HA HIS A 70 4.026 16.117 -7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.501 14.341 -8.139 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.622 13.922 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.290 16.037 -5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.755 12.301 -5.070 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.660 14.625 -3.980 1.00 0.00 H new ATOM 751 N LEU A 71 1.818 17.175 -8.652 1.00 0.00 N ATOM 752 CA LEU A 71 0.880 18.184 -9.153 1.00 0.00 C ATOM 753 C LEU A 71 -0.524 17.598 -9.334 1.00 0.00 C ATOM 754 O LEU A 71 -1.093 17.715 -10.410 1.00 0.00 O ATOM 755 CB LEU A 71 1.380 18.830 -10.467 1.00 0.00 C ATOM 756 CG LEU A 71 2.806 19.412 -10.432 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.863 18.400 -10.883 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.910 20.617 -11.375 1.00 0.00 C ATOM 0 H LEU A 71 2.105 16.513 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 71 0.824 18.970 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.334 18.081 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.690 19.627 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 71 2.992 19.693 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.850 18.861 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.839 17.531 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.654 18.087 -11.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.923 21.019 -11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.678 20.304 -12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.204 21.386 -11.062 1.00 0.00 H new ATOM 770 N TYR A 72 -1.084 16.963 -8.311 1.00 0.00 N ATOM 771 CA TYR A 72 -2.377 16.274 -8.390 1.00 0.00 C ATOM 772 C TYR A 72 -3.342 16.829 -7.351 1.00 0.00 C ATOM 773 O TYR A 72 -2.939 17.070 -6.216 1.00 0.00 O ATOM 774 CB TYR A 72 -2.168 14.775 -8.163 1.00 0.00 C ATOM 775 CG TYR A 72 -1.827 14.013 -9.422 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.795 13.897 -10.436 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.564 13.415 -9.582 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.505 13.172 -11.603 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.270 12.687 -10.751 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.246 12.561 -11.764 1.00 0.00 C ATOM 781 OH TYR A 72 -0.972 11.855 -12.892 1.00 0.00 O ATOM 0 H TYR A 72 -0.651 16.909 -7.389 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.806 16.437 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.368 14.634 -7.436 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.073 14.353 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.761 14.365 -10.317 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.182 13.514 -8.807 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.250 13.082 -12.380 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.699 12.226 -10.873 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.060 11.501 -12.843 1.00 0.00 H new ATOM 791 N ILE A 73 -4.606 16.990 -7.737 1.00 0.00 N ATOM 792 CA ILE A 73 -5.683 17.455 -6.860 1.00 0.00 C ATOM 793 C ILE A 73 -6.933 16.583 -7.047 1.00 0.00 C ATOM 794 O ILE A 73 -7.043 15.820 -8.011 1.00 0.00 O ATOM 795 CB ILE A 73 -5.986 18.964 -7.044 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.620 19.288 -8.411 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.725 19.810 -6.817 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.006 20.760 -8.610 1.00 0.00 C ATOM 0 H ILE A 73 -4.919 16.797 -8.689 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.346 17.347 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.725 19.223 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.921 19.001 -9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.511 18.673 -8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.965 20.865 -6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.356 19.649 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.957 19.518 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.444 20.891 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.732 21.052 -7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.117 21.384 -8.521 1.00 0.00 H new ATOM 810 N CYS A 74 -7.878 16.711 -6.121 1.00 0.00 N ATOM 811 CA CYS A 74 -9.186 16.069 -6.160 1.00 0.00 C ATOM 812 C CYS A 74 -10.210 16.868 -6.994 1.00 0.00 C ATOM 813 O CYS A 74 -10.001 18.043 -7.326 1.00 0.00 O ATOM 814 CB CYS A 74 -9.626 15.879 -4.706 1.00 0.00 C ATOM 815 SG CYS A 74 -9.936 17.474 -3.906 1.00 0.00 S ATOM 0 H CYS A 74 -7.748 17.288 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.124 15.105 -6.664 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.529 15.270 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.856 15.337 -4.157 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.398 17.478 -2.723 1.00 0.00 H new ATOM 820 N ASP A 75 -11.345 16.244 -7.323 1.00 0.00 N ATOM 821 CA ASP A 75 -12.439 16.890 -8.068 1.00 0.00 C ATOM 822 C ASP A 75 -13.018 18.113 -7.322 1.00 0.00 C ATOM 823 O ASP A 75 -13.257 19.164 -7.922 1.00 0.00 O ATOM 824 CB ASP A 75 -13.539 15.853 -8.377 1.00 0.00 C ATOM 825 CG ASP A 75 -14.459 15.606 -7.173 1.00 0.00 C ATOM 826 OD1 ASP A 75 -13.923 15.235 -6.101 1.00 0.00 O ATOM 827 OD2 ASP A 75 -15.658 15.926 -7.305 1.00 0.00 O ATOM 0 H ASP A 75 -11.535 15.272 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.029 17.269 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.134 16.199 -9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.076 14.913 -8.677 1.00 0.00 H new ATOM 832 N PHE A 76 -13.163 17.991 -6.001 1.00 0.00 N ATOM 833 CA PHE A 76 -13.683 18.992 -5.077 1.00 0.00 C ATOM 834 C PHE A 76 -12.872 20.291 -5.175 1.00 0.00 C ATOM 835 O PHE A 76 -13.400 21.369 -5.465 1.00 0.00 O ATOM 836 CB PHE A 76 -13.634 18.357 -3.674 1.00 0.00 C ATOM 837 CG PHE A 76 -14.672 18.859 -2.698 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.447 20.028 -1.951 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.863 18.129 -2.517 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.410 20.466 -1.024 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.824 18.565 -1.590 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.597 19.734 -0.840 1.00 0.00 C ATOM 0 H PHE A 76 -12.902 17.131 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.709 19.274 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.750 17.278 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.646 18.532 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.535 20.590 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -16.038 17.232 -3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.238 21.366 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.736 18.004 -1.453 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.333 20.069 -0.124 1.00 0.00 H new ATOM 852 N HIS A 77 -11.545 20.181 -5.024 1.00 0.00 N ATOM 853 CA HIS A 77 -10.643 21.324 -5.188 1.00 0.00 C ATOM 854 C HIS A 77 -10.529 21.799 -6.646 1.00 0.00 C ATOM 855 O HIS A 77 -10.371 23.003 -6.862 1.00 0.00 O ATOM 856 CB HIS A 77 -9.274 21.036 -4.559 1.00 0.00 C ATOM 857 CG HIS A 77 -9.213 21.320 -3.063 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.682 20.456 -2.085 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.581 22.485 -2.451 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.780 21.130 -0.917 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.309 22.349 -1.107 1.00 0.00 N ATOM 0 H HIS A 77 -11.073 19.308 -4.788 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.088 22.159 -4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.018 19.991 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.518 21.637 -5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.007 23.353 -2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.473 20.739 0.042 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.479 23.050 -0.385 1.00 0.00 H new ATOM 869 N LYS A 78 -10.681 20.916 -7.647 1.00 0.00 N ATOM 870 CA LYS A 78 -10.728 21.311 -9.069 1.00 0.00 C ATOM 871 C LYS A 78 -11.884 22.289 -9.320 1.00 0.00 C ATOM 872 O LYS A 78 -11.720 23.248 -10.074 1.00 0.00 O ATOM 873 CB LYS A 78 -10.866 20.063 -9.960 1.00 0.00 C ATOM 874 CG LYS A 78 -10.747 20.351 -11.470 1.00 0.00 C ATOM 875 CD LYS A 78 -11.525 19.323 -12.311 1.00 0.00 C ATOM 876 CE LYS A 78 -13.049 19.457 -12.160 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.573 20.689 -12.802 1.00 0.00 N ATOM 0 H LYS A 78 -10.775 19.912 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.797 21.817 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.100 19.341 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.831 19.596 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.124 21.352 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.697 20.338 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.257 19.443 -13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.223 18.318 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.533 18.586 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.308 19.464 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.356 21.070 -12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.814 21.397 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.916 20.463 -13.757 1.00 0.00 H new ATOM 891 N ASN A 79 -13.060 22.056 -8.723 1.00 0.00 N ATOM 892 CA ASN A 79 -14.178 23.003 -8.813 1.00 0.00 C ATOM 893 C ASN A 79 -13.850 24.313 -8.077 1.00 0.00 C ATOM 894 O ASN A 79 -14.008 25.379 -8.666 1.00 0.00 O ATOM 895 CB ASN A 79 -15.485 22.364 -8.301 1.00 0.00 C ATOM 896 CG ASN A 79 -16.688 23.266 -8.572 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.781 24.386 -8.097 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.632 22.832 -9.376 1.00 0.00 N ATOM 0 H ASN A 79 -13.261 21.221 -8.173 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.331 23.253 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.635 21.399 -8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.404 22.174 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.429 23.429 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.568 21.898 -9.781 1.00 0.00 H new ATOM 905 N PHE A 80 -13.333 24.243 -6.846 1.00 0.00 N ATOM 906 CA PHE A 80 -13.048 25.417 -6.012 1.00 0.00 C ATOM 907 C PHE A 80 -12.203 26.489 -6.724 1.00 0.00 C ATOM 908 O PHE A 80 -12.552 27.668 -6.709 1.00 0.00 O ATOM 909 CB PHE A 80 -12.384 24.933 -4.717 1.00 0.00 C ATOM 910 CG PHE A 80 -12.258 25.970 -3.619 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.417 26.536 -3.055 1.00 0.00 C ATOM 912 CD2 PHE A 80 -10.991 26.312 -3.106 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.315 27.436 -1.979 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.894 27.187 -2.008 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.052 27.750 -1.447 1.00 0.00 C ATOM 0 H PHE A 80 -13.098 23.359 -6.395 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.990 25.918 -5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.955 24.088 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.388 24.561 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.388 26.278 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.097 25.904 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.205 27.885 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.925 27.427 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.972 28.424 -0.607 1.00 0.00 H new ATOM 925 N ILE A 81 -11.135 26.087 -7.423 1.00 0.00 N ATOM 926 CA ILE A 81 -10.234 27.012 -8.144 1.00 0.00 C ATOM 927 C ILE A 81 -10.887 27.579 -9.423 1.00 0.00 C ATOM 928 O ILE A 81 -10.543 28.679 -9.853 1.00 0.00 O ATOM 929 CB ILE A 81 -8.863 26.359 -8.444 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.249 25.689 -7.189 1.00 0.00 C ATOM 931 CG2 ILE A 81 -7.889 27.438 -8.972 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.164 24.667 -7.541 1.00 0.00 C ATOM 0 H ILE A 81 -10.865 25.107 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.052 27.857 -7.480 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.022 25.583 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.824 26.457 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.038 25.195 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.922 26.982 -9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.292 27.877 -9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.766 28.217 -8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.767 24.228 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.592 23.882 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.359 25.163 -8.084 1.00 0.00 H new ATOM 944 N GLN A 82 -11.835 26.860 -10.035 1.00 0.00 N ATOM 945 CA GLN A 82 -12.608 27.396 -11.166 1.00 0.00 C ATOM 946 C GLN A 82 -13.706 28.354 -10.663 1.00 0.00 C ATOM 947 O GLN A 82 -14.042 29.336 -11.328 1.00 0.00 O ATOM 948 CB GLN A 82 -13.217 26.254 -12.003 1.00 0.00 C ATOM 949 CG GLN A 82 -12.143 25.449 -12.759 1.00 0.00 C ATOM 950 CD GLN A 82 -12.748 24.430 -13.723 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.002 23.275 -13.401 1.00 0.00 O ATOM 952 NE2 GLN A 82 -13.033 24.808 -14.949 1.00 0.00 N ATOM 0 H GLN A 82 -12.086 25.908 -9.769 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.931 27.959 -11.808 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.776 25.585 -11.349 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.928 26.669 -12.718 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.503 26.135 -13.314 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.508 24.932 -12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.834 25.763 -15.248 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.453 24.147 -15.602 1.00 0.00 H new