USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 434 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 35 GLN : amide:sc= -11.4! C(o=-17!,f=-17!) USER MOD Set 1.2: A 56 ASN : amide:sc= -5.98! C(o=-17!,f=-19!) USER MOD Set 2.1: A 44 THR OG1 : rot -61:sc= 0.83 USER MOD Set 2.2: A 47 ASN : amide:sc= -1.81! C(o=-0.98!,f=-3.4!) USER MOD Set 3.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 46 ASN : amide:sc= -3.45! C(o=-3.4!,f=-9.3!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -146:sc= -0.0226 (180deg=-0.12) USER MOD Set 4.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 5 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Set 5.2: A 6 HIS : no HD1:sc=-0.00247 X(o=-1.1,f=-1.2) USER MOD Single : A 1 LEU N :NH3+ 136:sc= -1.67! (180deg=-4.53!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= -0.136 (180deg=-0.678) USER MOD Single : A 13 HIS : no HD1:sc= -1.12! C(o=-1.1!,f=-3.9!) USER MOD Single : A 16 MET CE :methyl -141:sc= -0.0252 (180deg=-1.57) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -1 USER MOD Single : A 21 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.0065) USER MOD Single : A 22 ASN : amide:sc= -8.17! K(o=-8.2!,f=-2.1) USER MOD Single : A 25 MET CE :methyl 140:sc= 0 (180deg=-0.0475) USER MOD Single : A 29 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -0.0642 (180deg=-0.465) USER MOD Single : A 38 SER OG : rot 180:sc= -0.103 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -127:sc= 1.28 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.754 -4.672 -10.009 1.00 0.00 N ATOM 2 CA LEU A 1 0.775 -5.544 -9.299 1.00 0.00 C ATOM 3 C LEU A 1 1.448 -6.170 -8.080 1.00 0.00 C ATOM 4 O LEU A 1 1.270 -7.355 -7.800 1.00 0.00 O ATOM 5 CB LEU A 1 0.286 -6.637 -10.252 1.00 0.00 C ATOM 6 CG LEU A 1 -1.136 -6.314 -10.712 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.441 -7.078 -12.001 1.00 0.00 C ATOM 8 CD2 LEU A 1 -2.131 -6.731 -9.627 1.00 0.00 C ATOM 0 H1 LEU A 1 1.686 -4.837 -11.034 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.543 -3.674 -9.804 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.717 -4.896 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 1 -0.079 -4.952 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.951 -6.708 -11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.307 -7.606 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.223 -5.243 -10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -2.455 -6.848 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.733 -6.782 -12.775 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -1.353 -8.149 -11.819 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.145 -6.501 -9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.043 -7.802 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.915 -6.188 -8.707 1.00 0.00 H new ATOM 22 N LYS A 2 2.217 -5.364 -7.355 1.00 0.00 N ATOM 23 CA LYS A 2 2.906 -5.851 -6.168 1.00 0.00 C ATOM 24 C LYS A 2 3.450 -4.680 -5.362 1.00 0.00 C ATOM 25 O LYS A 2 3.628 -3.583 -5.889 1.00 0.00 O ATOM 26 CB LYS A 2 4.051 -6.782 -6.566 1.00 0.00 C ATOM 27 CG LYS A 2 5.100 -5.996 -7.355 1.00 0.00 C ATOM 28 CD LYS A 2 5.221 -6.576 -8.767 1.00 0.00 C ATOM 29 CE LYS A 2 5.974 -7.908 -8.714 1.00 0.00 C ATOM 30 NZ LYS A 2 5.064 -9.010 -9.134 1.00 0.00 N ATOM 0 H LYS A 2 2.377 -4.379 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 2 2.195 -6.406 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.503 -7.220 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.670 -7.606 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.819 -4.944 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.063 -6.044 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.230 -6.724 -9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.747 -5.875 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.845 -7.872 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.341 -8.090 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.294 -9.873 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.078 -8.738 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.183 -9.190 -10.151 1.00 0.00 H new ATOM 44 N CYS A 3 3.706 -4.918 -4.083 1.00 0.00 N ATOM 45 CA CYS A 3 4.220 -3.868 -3.214 1.00 0.00 C ATOM 46 C CYS A 3 4.832 -4.465 -1.955 1.00 0.00 C ATOM 47 O CYS A 3 5.020 -5.678 -1.856 1.00 0.00 O ATOM 48 CB CYS A 3 3.084 -2.917 -2.831 1.00 0.00 C ATOM 49 SG CYS A 3 2.610 -1.934 -4.275 1.00 0.00 S ATOM 0 H CYS A 3 3.568 -5.820 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 3 4.994 -3.319 -3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.228 -3.484 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.401 -2.262 -2.020 1.00 0.00 H new ATOM 54 N TYR A 4 5.137 -3.604 -0.992 1.00 0.00 N ATOM 55 CA TYR A 4 5.724 -4.051 0.261 1.00 0.00 C ATOM 56 C TYR A 4 4.629 -4.376 1.267 1.00 0.00 C ATOM 57 O TYR A 4 4.196 -3.516 2.035 1.00 0.00 O ATOM 58 CB TYR A 4 6.640 -2.966 0.819 1.00 0.00 C ATOM 59 CG TYR A 4 7.947 -2.993 0.069 1.00 0.00 C ATOM 60 CD1 TYR A 4 8.818 -4.075 0.229 1.00 0.00 C ATOM 61 CD2 TYR A 4 8.284 -1.942 -0.791 1.00 0.00 C ATOM 62 CE1 TYR A 4 10.028 -4.107 -0.470 1.00 0.00 C ATOM 63 CE2 TYR A 4 9.496 -1.974 -1.491 1.00 0.00 C ATOM 64 CZ TYR A 4 10.368 -3.057 -1.331 1.00 0.00 C ATOM 65 OH TYR A 4 11.563 -3.091 -2.021 1.00 0.00 O ATOM 0 H TYR A 4 4.988 -2.597 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 4 6.309 -4.952 0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.169 -1.988 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.813 -3.130 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.556 -4.886 0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.610 -1.107 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.701 -4.942 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.758 -1.163 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 4 11.644 -2.287 -2.575 1.00 0.00 H new ATOM 75 N GLN A 5 4.185 -5.624 1.249 1.00 0.00 N ATOM 76 CA GLN A 5 3.132 -6.067 2.156 1.00 0.00 C ATOM 77 C GLN A 5 3.730 -6.747 3.383 1.00 0.00 C ATOM 78 O GLN A 5 3.109 -6.788 4.445 1.00 0.00 O ATOM 79 CB GLN A 5 2.198 -7.040 1.431 1.00 0.00 C ATOM 80 CG GLN A 5 0.932 -7.253 2.262 1.00 0.00 C ATOM 81 CD GLN A 5 0.188 -8.489 1.768 1.00 0.00 C ATOM 82 OE1 GLN A 5 0.425 -9.595 2.256 1.00 0.00 O ATOM 83 NE2 GLN A 5 -0.703 -8.368 0.822 1.00 0.00 N ATOM 0 H GLN A 5 4.535 -6.347 0.620 1.00 0.00 H new ATOM 0 HA GLN A 5 2.566 -5.194 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.938 -6.646 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.703 -7.992 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.193 -7.371 3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.288 -6.377 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.898 -7.451 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.204 -9.190 0.486 1.00 0.00 H new ATOM 92 N HIS A 6 4.938 -7.277 3.230 1.00 0.00 N ATOM 93 CA HIS A 6 5.611 -7.953 4.335 1.00 0.00 C ATOM 94 C HIS A 6 7.087 -7.574 4.374 1.00 0.00 C ATOM 95 O HIS A 6 7.951 -8.427 4.582 1.00 0.00 O ATOM 96 CB HIS A 6 5.474 -9.468 4.179 1.00 0.00 C ATOM 97 CG HIS A 6 4.104 -9.895 4.631 1.00 0.00 C ATOM 98 ND1 HIS A 6 3.707 -9.822 5.957 1.00 0.00 N ATOM 99 CD2 HIS A 6 3.026 -10.398 3.944 1.00 0.00 C ATOM 100 CE1 HIS A 6 2.440 -10.269 6.026 1.00 0.00 C ATOM 101 NE2 HIS A 6 1.976 -10.633 4.827 1.00 0.00 N ATOM 0 H HIS A 6 5.469 -7.253 2.359 1.00 0.00 H new ATOM 0 HA HIS A 6 5.143 -7.640 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.631 -9.753 3.139 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.238 -9.976 4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.998 -10.583 2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.867 -10.327 6.940 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.052 -11.003 4.606 1.00 0.00 H new ATOM 109 N GLY A 7 7.371 -6.291 4.172 1.00 0.00 N ATOM 110 CA GLY A 7 8.748 -5.813 4.184 1.00 0.00 C ATOM 111 C GLY A 7 9.453 -6.172 2.881 1.00 0.00 C ATOM 112 O GLY A 7 10.534 -5.662 2.584 1.00 0.00 O ATOM 0 H GLY A 7 6.671 -5.569 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.762 -4.732 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.283 -6.252 5.026 1.00 0.00 H new ATOM 116 N LYS A 8 8.828 -7.053 2.106 1.00 0.00 N ATOM 117 CA LYS A 8 9.395 -7.478 0.833 1.00 0.00 C ATOM 118 C LYS A 8 8.366 -7.328 -0.283 1.00 0.00 C ATOM 119 O LYS A 8 7.185 -7.622 -0.095 1.00 0.00 O ATOM 120 CB LYS A 8 9.846 -8.938 0.924 1.00 0.00 C ATOM 121 CG LYS A 8 10.118 -9.299 2.387 1.00 0.00 C ATOM 122 CD LYS A 8 10.671 -10.724 2.470 1.00 0.00 C ATOM 123 CE LYS A 8 9.513 -11.723 2.451 1.00 0.00 C ATOM 124 NZ LYS A 8 8.745 -11.618 3.725 1.00 0.00 N ATOM 0 H LYS A 8 7.933 -7.484 2.337 1.00 0.00 H new ATOM 0 HA LYS A 8 10.255 -6.848 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.078 -9.593 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.746 -9.089 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.830 -8.596 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.199 -9.220 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.343 -10.914 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.256 -10.846 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.859 -11.522 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.895 -12.736 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.301 -12.534 3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.389 -11.357 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.008 -10.890 3.627 1.00 0.00 H new ATOM 138 N VAL A 9 8.819 -6.868 -1.445 1.00 0.00 N ATOM 139 CA VAL A 9 7.924 -6.685 -2.583 1.00 0.00 C ATOM 140 C VAL A 9 7.220 -7.993 -2.921 1.00 0.00 C ATOM 141 O VAL A 9 7.797 -8.873 -3.561 1.00 0.00 O ATOM 142 CB VAL A 9 8.715 -6.198 -3.797 1.00 0.00 C ATOM 143 CG1 VAL A 9 7.763 -5.977 -4.973 1.00 0.00 C ATOM 144 CG2 VAL A 9 9.412 -4.880 -3.452 1.00 0.00 C ATOM 0 H VAL A 9 9.791 -6.617 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 9 7.175 -5.939 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 9 9.460 -6.946 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.328 -5.630 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.264 -6.914 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.018 -5.229 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.977 -4.530 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.665 -4.134 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.091 -5.036 -2.614 1.00 0.00 H new ATOM 154 N VAL A 10 5.971 -8.118 -2.487 1.00 0.00 N ATOM 155 CA VAL A 10 5.203 -9.330 -2.750 1.00 0.00 C ATOM 156 C VAL A 10 3.823 -8.988 -3.303 1.00 0.00 C ATOM 157 O VAL A 10 3.222 -7.985 -2.920 1.00 0.00 O ATOM 158 CB VAL A 10 5.050 -10.141 -1.461 1.00 0.00 C ATOM 159 CG1 VAL A 10 6.331 -10.933 -1.194 1.00 0.00 C ATOM 160 CG2 VAL A 10 4.786 -9.193 -0.289 1.00 0.00 C ATOM 0 H VAL A 10 5.472 -7.403 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 10 5.741 -9.920 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 10 4.214 -10.832 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.218 -11.509 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.520 -11.611 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.169 -10.244 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.677 -9.771 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.622 -8.501 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.871 -8.631 -0.475 1.00 0.00 H new ATOM 170 N THR A 11 3.327 -9.831 -4.204 1.00 0.00 N ATOM 171 CA THR A 11 2.014 -9.610 -4.800 1.00 0.00 C ATOM 172 C THR A 11 0.920 -9.858 -3.767 1.00 0.00 C ATOM 173 O THR A 11 0.793 -10.961 -3.236 1.00 0.00 O ATOM 174 CB THR A 11 1.815 -10.546 -5.996 1.00 0.00 C ATOM 175 OG1 THR A 11 2.852 -10.329 -6.942 1.00 0.00 O ATOM 176 CG2 THR A 11 0.460 -10.266 -6.647 1.00 0.00 C ATOM 0 H THR A 11 3.810 -10.666 -4.535 1.00 0.00 H new ATOM 0 HA THR A 11 1.955 -8.576 -5.141 1.00 0.00 H new ATOM 0 HB THR A 11 1.844 -11.581 -5.656 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.727 -10.928 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.320 -10.933 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.335 -10.434 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.427 -9.231 -6.988 1.00 0.00 H new ATOM 184 N CYS A 12 0.140 -8.823 -3.482 1.00 0.00 N ATOM 185 CA CYS A 12 -0.937 -8.934 -2.505 1.00 0.00 C ATOM 186 C CYS A 12 -2.028 -9.873 -3.008 1.00 0.00 C ATOM 187 O CYS A 12 -1.788 -10.710 -3.879 1.00 0.00 O ATOM 188 CB CYS A 12 -1.531 -7.554 -2.229 1.00 0.00 C ATOM 189 SG CYS A 12 -0.300 -6.283 -2.612 1.00 0.00 S ATOM 0 H CYS A 12 0.231 -7.902 -3.910 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.525 -9.344 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.426 -7.403 -2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.835 -7.479 -1.185 1.00 0.00 H new ATOM 194 N HIS A 13 -3.228 -9.731 -2.453 1.00 0.00 N ATOM 195 CA HIS A 13 -4.348 -10.576 -2.853 1.00 0.00 C ATOM 196 C HIS A 13 -5.608 -9.741 -3.056 1.00 0.00 C ATOM 197 O HIS A 13 -5.544 -8.604 -3.525 1.00 0.00 O ATOM 198 CB HIS A 13 -4.608 -11.638 -1.783 1.00 0.00 C ATOM 199 CG HIS A 13 -5.395 -12.772 -2.381 1.00 0.00 C ATOM 200 ND1 HIS A 13 -6.631 -13.159 -1.886 1.00 0.00 N ATOM 201 CD2 HIS A 13 -5.133 -13.615 -3.432 1.00 0.00 C ATOM 202 CE1 HIS A 13 -7.061 -14.194 -2.632 1.00 0.00 C ATOM 203 NE2 HIS A 13 -6.186 -14.511 -3.589 1.00 0.00 N ATOM 0 H HIS A 13 -3.449 -9.045 -1.731 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.092 -11.061 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.663 -12.007 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.156 -11.202 -0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.244 -13.587 -4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.999 -14.705 -2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.271 -15.251 -4.286 1.00 0.00 H new ATOM 211 N ARG A 14 -6.753 -10.317 -2.704 1.00 0.00 N ATOM 212 CA ARG A 14 -8.023 -9.620 -2.857 1.00 0.00 C ATOM 213 C ARG A 14 -8.057 -8.868 -4.182 1.00 0.00 C ATOM 214 O ARG A 14 -8.797 -7.898 -4.340 1.00 0.00 O ATOM 215 CB ARG A 14 -8.222 -8.634 -1.704 1.00 0.00 C ATOM 216 CG ARG A 14 -9.717 -8.477 -1.417 1.00 0.00 C ATOM 217 CD ARG A 14 -9.942 -7.239 -0.546 1.00 0.00 C ATOM 218 NE ARG A 14 -11.354 -7.116 -0.201 1.00 0.00 N ATOM 219 CZ ARG A 14 -12.226 -6.595 -1.057 1.00 0.00 C ATOM 220 NH1 ARG A 14 -11.823 -6.181 -2.228 1.00 0.00 N ATOM 221 NH2 ARG A 14 -13.486 -6.495 -0.729 1.00 0.00 N ATOM 0 H ARG A 14 -6.827 -11.257 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.826 -10.356 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.706 -8.991 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.787 -7.668 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.270 -8.382 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.096 -9.365 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.343 -7.310 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.611 -6.347 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.677 -7.435 0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.839 -6.258 -2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.492 -5.781 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.802 -6.817 0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.154 -6.095 -1.388 1.00 0.00 H new ATOM 235 N ASP A 15 -7.246 -9.322 -5.131 1.00 0.00 N ATOM 236 CA ASP A 15 -7.188 -8.681 -6.439 1.00 0.00 C ATOM 237 C ASP A 15 -6.909 -7.194 -6.282 1.00 0.00 C ATOM 238 O ASP A 15 -7.554 -6.359 -6.916 1.00 0.00 O ATOM 239 CB ASP A 15 -8.511 -8.881 -7.180 1.00 0.00 C ATOM 240 CG ASP A 15 -8.881 -10.360 -7.203 1.00 0.00 C ATOM 241 OD1 ASP A 15 -8.917 -10.958 -6.139 1.00 0.00 O ATOM 242 OD2 ASP A 15 -9.122 -10.874 -8.282 1.00 0.00 O ATOM 0 H ASP A 15 -6.625 -10.124 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.382 -9.136 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.300 -8.308 -6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.427 -8.503 -8.199 1.00 0.00 H new ATOM 247 N MET A 16 -5.946 -6.868 -5.427 1.00 0.00 N ATOM 248 CA MET A 16 -5.591 -5.476 -5.187 1.00 0.00 C ATOM 249 C MET A 16 -5.192 -4.791 -6.491 1.00 0.00 C ATOM 250 O MET A 16 -4.466 -5.356 -7.309 1.00 0.00 O ATOM 251 CB MET A 16 -4.445 -5.393 -4.171 1.00 0.00 C ATOM 252 CG MET A 16 -3.101 -5.244 -4.892 1.00 0.00 C ATOM 253 SD MET A 16 -2.924 -3.547 -5.497 1.00 0.00 S ATOM 254 CE MET A 16 -1.810 -3.910 -6.876 1.00 0.00 C ATOM 0 H MET A 16 -5.401 -7.544 -4.892 1.00 0.00 H new ATOM 0 HA MET A 16 -6.461 -4.961 -4.781 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.603 -4.546 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.435 -6.289 -3.551 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.283 -5.486 -4.213 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.043 -5.946 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.061 -3.122 -6.955 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.315 -4.865 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.382 -3.961 -7.802 1.00 0.00 H new ATOM 264 N LYS A 17 -5.676 -3.570 -6.674 1.00 0.00 N ATOM 265 CA LYS A 17 -5.372 -2.806 -7.876 1.00 0.00 C ATOM 266 C LYS A 17 -4.570 -1.558 -7.526 1.00 0.00 C ATOM 267 O LYS A 17 -4.163 -0.803 -8.410 1.00 0.00 O ATOM 268 CB LYS A 17 -6.669 -2.396 -8.576 1.00 0.00 C ATOM 269 CG LYS A 17 -7.311 -3.622 -9.227 1.00 0.00 C ATOM 270 CD LYS A 17 -6.769 -3.789 -10.646 1.00 0.00 C ATOM 271 CE LYS A 17 -7.210 -5.142 -11.205 1.00 0.00 C ATOM 272 NZ LYS A 17 -6.490 -5.409 -12.482 1.00 0.00 N ATOM 0 H LYS A 17 -6.279 -3.088 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.780 -3.433 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.357 -1.951 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.462 -1.637 -9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.097 -4.514 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.395 -3.508 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.135 -2.984 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.681 -3.723 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.999 -5.932 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.287 -5.144 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.789 -6.329 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.713 -4.661 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.465 -5.424 -12.306 1.00 0.00 H new ATOM 286 N PHE A 18 -4.353 -1.341 -6.233 1.00 0.00 N ATOM 287 CA PHE A 18 -3.605 -0.172 -5.785 1.00 0.00 C ATOM 288 C PHE A 18 -2.933 -0.433 -4.442 1.00 0.00 C ATOM 289 O PHE A 18 -3.426 -1.215 -3.628 1.00 0.00 O ATOM 290 CB PHE A 18 -4.546 1.024 -5.655 1.00 0.00 C ATOM 291 CG PHE A 18 -5.107 1.375 -7.013 1.00 0.00 C ATOM 292 CD1 PHE A 18 -4.429 2.281 -7.837 1.00 0.00 C ATOM 293 CD2 PHE A 18 -6.304 0.794 -7.446 1.00 0.00 C ATOM 294 CE1 PHE A 18 -4.950 2.606 -9.096 1.00 0.00 C ATOM 295 CE2 PHE A 18 -6.824 1.118 -8.705 1.00 0.00 C ATOM 296 CZ PHE A 18 -6.146 2.024 -9.529 1.00 0.00 C ATOM 0 H PHE A 18 -4.680 -1.952 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.833 0.041 -6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.356 0.789 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.011 1.878 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.505 2.729 -7.502 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.827 0.096 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.428 3.306 -9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.747 0.669 -9.040 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.547 2.274 -10.500 1.00 0.00 H new ATOM 306 N CYS A 19 -1.810 0.240 -4.216 1.00 0.00 N ATOM 307 CA CYS A 19 -1.075 0.092 -2.966 1.00 0.00 C ATOM 308 C CYS A 19 -1.228 1.353 -2.126 1.00 0.00 C ATOM 309 O CYS A 19 -1.308 2.455 -2.667 1.00 0.00 O ATOM 310 CB CYS A 19 0.405 -0.148 -3.253 1.00 0.00 C ATOM 311 SG CYS A 19 0.609 -1.733 -4.099 1.00 0.00 S ATOM 0 H CYS A 19 -1.390 0.891 -4.880 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.478 -0.761 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.802 0.659 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.972 -0.146 -2.322 1.00 0.00 H new ATOM 316 N TYR A 20 -1.273 1.196 -0.807 1.00 0.00 N ATOM 317 CA TYR A 20 -1.425 2.351 0.067 1.00 0.00 C ATOM 318 C TYR A 20 -0.411 2.325 1.204 1.00 0.00 C ATOM 319 O TYR A 20 -0.117 1.273 1.771 1.00 0.00 O ATOM 320 CB TYR A 20 -2.841 2.397 0.641 1.00 0.00 C ATOM 321 CG TYR A 20 -3.140 1.121 1.393 1.00 0.00 C ATOM 322 CD1 TYR A 20 -2.613 0.920 2.674 1.00 0.00 C ATOM 323 CD2 TYR A 20 -3.956 0.144 0.810 1.00 0.00 C ATOM 324 CE1 TYR A 20 -2.899 -0.260 3.372 1.00 0.00 C ATOM 325 CE2 TYR A 20 -4.245 -1.034 1.509 1.00 0.00 C ATOM 326 CZ TYR A 20 -3.717 -1.236 2.788 1.00 0.00 C ATOM 327 OH TYR A 20 -4.006 -2.398 3.477 1.00 0.00 O ATOM 0 H TYR A 20 -1.208 0.298 -0.328 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.246 3.245 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.944 3.253 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.564 2.531 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.986 1.675 3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.362 0.299 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.490 -0.417 4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.876 -1.787 1.060 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.587 -2.967 2.930 1.00 0.00 H new ATOM 337 N HIS A 21 0.112 3.502 1.531 1.00 0.00 N ATOM 338 CA HIS A 21 1.089 3.629 2.605 1.00 0.00 C ATOM 339 C HIS A 21 0.477 4.376 3.783 1.00 0.00 C ATOM 340 O HIS A 21 0.631 5.590 3.907 1.00 0.00 O ATOM 341 CB HIS A 21 2.318 4.388 2.104 1.00 0.00 C ATOM 342 CG HIS A 21 3.495 4.073 2.987 1.00 0.00 C ATOM 343 ND1 HIS A 21 4.802 4.130 2.529 1.00 0.00 N ATOM 344 CD2 HIS A 21 3.576 3.700 4.306 1.00 0.00 C ATOM 345 CE1 HIS A 21 5.606 3.800 3.556 1.00 0.00 C ATOM 346 NE2 HIS A 21 4.911 3.529 4.663 1.00 0.00 N ATOM 0 H HIS A 21 -0.124 4.380 1.068 1.00 0.00 H new ATOM 0 HA HIS A 21 1.386 2.631 2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.537 4.108 1.074 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.123 5.460 2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.733 3.560 4.966 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.683 3.759 3.492 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.279 3.256 5.574 1.00 0.00 H new ATOM 354 N ASN A 22 -0.223 3.644 4.640 1.00 0.00 N ATOM 355 CA ASN A 22 -0.862 4.254 5.798 1.00 0.00 C ATOM 356 C ASN A 22 0.167 4.587 6.872 1.00 0.00 C ATOM 357 O ASN A 22 0.842 3.701 7.398 1.00 0.00 O ATOM 358 CB ASN A 22 -1.920 3.311 6.373 1.00 0.00 C ATOM 359 CG ASN A 22 -2.722 4.028 7.455 1.00 0.00 C ATOM 360 OD1 ASN A 22 -3.952 4.032 7.417 1.00 0.00 O ATOM 361 ND2 ASN A 22 -2.093 4.638 8.422 1.00 0.00 N ATOM 0 H ASN A 22 -0.362 2.637 4.557 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.340 5.179 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.586 2.971 5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.442 2.425 6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.621 5.120 9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.073 4.633 8.450 1.00 0.00 H new ATOM 368 N THR A 23 0.278 5.871 7.193 1.00 0.00 N ATOM 369 CA THR A 23 1.222 6.318 8.208 1.00 0.00 C ATOM 370 C THR A 23 0.523 6.463 9.555 1.00 0.00 C ATOM 371 O THR A 23 1.167 6.454 10.604 1.00 0.00 O ATOM 372 CB THR A 23 1.832 7.663 7.804 1.00 0.00 C ATOM 373 OG1 THR A 23 0.795 8.623 7.650 1.00 0.00 O ATOM 374 CG2 THR A 23 2.589 7.511 6.485 1.00 0.00 C ATOM 0 H THR A 23 -0.272 6.617 6.767 1.00 0.00 H new ATOM 0 HA THR A 23 2.013 5.573 8.294 1.00 0.00 H new ATOM 0 HB THR A 23 2.524 7.994 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.183 9.485 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.022 8.470 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.385 6.776 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.902 7.179 5.707 1.00 0.00 H new ATOM 382 N GLY A 24 -0.799 6.600 9.517 1.00 0.00 N ATOM 383 CA GLY A 24 -1.575 6.749 10.742 1.00 0.00 C ATOM 384 C GLY A 24 -1.182 8.021 11.483 1.00 0.00 C ATOM 385 O GLY A 24 -1.865 9.041 11.389 1.00 0.00 O ATOM 0 H GLY A 24 -1.351 6.611 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.638 6.776 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.415 5.884 11.386 1.00 0.00 H new ATOM 389 N MET A 25 -0.078 7.952 12.218 1.00 0.00 N ATOM 390 CA MET A 25 0.404 9.103 12.974 1.00 0.00 C ATOM 391 C MET A 25 -0.756 10.022 13.345 1.00 0.00 C ATOM 392 O MET A 25 -0.797 11.183 12.937 1.00 0.00 O ATOM 393 CB MET A 25 1.432 9.879 12.149 1.00 0.00 C ATOM 394 CG MET A 25 0.926 10.035 10.714 1.00 0.00 C ATOM 395 SD MET A 25 2.005 11.175 9.813 1.00 0.00 S ATOM 396 CE MET A 25 1.218 12.711 10.357 1.00 0.00 C ATOM 0 H MET A 25 0.498 7.115 12.307 1.00 0.00 H new ATOM 0 HA MET A 25 0.874 8.743 13.889 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.604 10.859 12.593 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.388 9.355 12.153 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.907 9.065 10.216 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.097 10.411 10.717 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.984 13.460 10.561 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.553 13.076 9.575 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.643 12.524 11.264 1.00 0.00 H new ATOM 406 N PRO A 26 -1.689 9.521 14.106 1.00 0.00 N ATOM 407 CA PRO A 26 -2.882 10.302 14.545 1.00 0.00 C ATOM 408 C PRO A 26 -2.518 11.397 15.545 1.00 0.00 C ATOM 409 O PRO A 26 -2.170 12.513 15.158 1.00 0.00 O ATOM 410 CB PRO A 26 -3.790 9.254 15.192 1.00 0.00 C ATOM 411 CG PRO A 26 -2.884 8.143 15.608 1.00 0.00 C ATOM 412 CD PRO A 26 -1.709 8.148 14.630 1.00 0.00 C ATOM 0 HA PRO A 26 -3.354 10.824 13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.320 9.670 16.049 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.546 8.902 14.490 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.537 8.288 16.631 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.406 7.187 15.581 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.773 7.898 15.129 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.850 7.418 13.833 1.00 0.00 H new ATOM 420 N PHE A 27 -2.605 11.072 16.830 1.00 0.00 N ATOM 421 CA PHE A 27 -2.286 12.038 17.875 1.00 0.00 C ATOM 422 C PHE A 27 -0.801 11.993 18.218 1.00 0.00 C ATOM 423 O PHE A 27 -0.311 12.809 18.999 1.00 0.00 O ATOM 424 CB PHE A 27 -3.112 11.741 19.129 1.00 0.00 C ATOM 425 CG PHE A 27 -4.388 12.549 19.092 1.00 0.00 C ATOM 426 CD1 PHE A 27 -5.335 12.315 18.088 1.00 0.00 C ATOM 427 CD2 PHE A 27 -4.622 13.533 20.059 1.00 0.00 C ATOM 428 CE1 PHE A 27 -6.517 13.066 18.052 1.00 0.00 C ATOM 429 CE2 PHE A 27 -5.803 14.283 20.023 1.00 0.00 C ATOM 430 CZ PHE A 27 -6.751 14.049 19.020 1.00 0.00 C ATOM 0 H PHE A 27 -2.891 10.155 17.172 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.529 13.035 17.506 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.344 10.677 19.182 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.538 11.987 20.023 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.154 11.556 17.341 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.891 13.714 20.833 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.248 12.886 17.277 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.983 15.043 20.769 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.663 14.627 18.993 1.00 0.00 H new ATOM 440 N ARG A 28 -0.088 11.037 17.632 1.00 0.00 N ATOM 441 CA ARG A 28 1.342 10.902 17.887 1.00 0.00 C ATOM 442 C ARG A 28 2.077 10.492 16.615 1.00 0.00 C ATOM 443 O ARG A 28 1.457 10.101 15.626 1.00 0.00 O ATOM 444 CB ARG A 28 1.583 9.858 18.978 1.00 0.00 C ATOM 445 CG ARG A 28 1.718 10.556 20.334 1.00 0.00 C ATOM 446 CD ARG A 28 3.103 11.197 20.442 1.00 0.00 C ATOM 447 NE ARG A 28 3.933 10.452 21.383 1.00 0.00 N ATOM 448 CZ ARG A 28 5.195 10.797 21.610 1.00 0.00 C ATOM 449 NH1 ARG A 28 5.714 11.819 20.986 1.00 0.00 N ATOM 450 NH2 ARG A 28 5.916 10.116 22.460 1.00 0.00 N ATOM 0 H ARG A 28 -0.472 10.350 16.983 1.00 0.00 H new ATOM 0 HA ARG A 28 1.725 11.867 18.219 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.757 9.147 19.004 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.487 9.289 18.758 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.944 11.316 20.442 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.574 9.837 21.141 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.580 11.216 19.462 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.008 12.232 20.771 1.00 0.00 H new ATOM 0 HE ARG A 28 3.536 9.652 21.875 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.150 12.352 20.324 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.683 12.084 21.160 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.510 9.319 22.950 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.885 10.381 22.634 1.00 0.00 H new ATOM 464 N ASN A 29 3.404 10.584 16.649 1.00 0.00 N ATOM 465 CA ASN A 29 4.214 10.220 15.491 1.00 0.00 C ATOM 466 C ASN A 29 3.931 8.783 15.066 1.00 0.00 C ATOM 467 O ASN A 29 3.567 8.524 13.919 1.00 0.00 O ATOM 468 CB ASN A 29 5.701 10.371 15.826 1.00 0.00 C ATOM 469 CG ASN A 29 6.255 11.644 15.194 1.00 0.00 C ATOM 470 OD1 ASN A 29 5.739 12.109 14.177 1.00 0.00 O ATOM 471 ND2 ASN A 29 7.283 12.237 15.738 1.00 0.00 N ATOM 0 H ASN A 29 3.937 10.904 17.458 1.00 0.00 H new ATOM 0 HA ASN A 29 3.956 10.887 14.668 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.837 10.404 16.907 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.253 9.505 15.462 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.661 13.088 15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.708 11.850 16.580 1.00 0.00 H new ATOM 478 N LEU A 30 4.108 7.851 15.998 1.00 0.00 N ATOM 479 CA LEU A 30 3.873 6.441 15.710 1.00 0.00 C ATOM 480 C LEU A 30 4.877 5.935 14.679 1.00 0.00 C ATOM 481 O LEU A 30 4.789 6.270 13.498 1.00 0.00 O ATOM 482 CB LEU A 30 2.452 6.241 15.182 1.00 0.00 C ATOM 483 CG LEU A 30 1.910 4.898 15.677 1.00 0.00 C ATOM 484 CD1 LEU A 30 1.382 5.055 17.104 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.772 4.437 14.763 1.00 0.00 C ATOM 0 H LEU A 30 4.411 8.045 16.952 1.00 0.00 H new ATOM 0 HA LEU A 30 3.996 5.875 16.634 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.809 7.053 15.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.450 6.267 14.092 1.00 0.00 H new ATOM 0 HG LEU A 30 2.710 4.158 15.664 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.996 4.098 17.456 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.191 5.383 17.757 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.582 5.796 17.117 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.387 3.481 15.116 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.028 5.178 14.776 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.146 4.324 13.745 1.00 0.00 H new ATOM 497 N LYS A 31 5.831 5.131 15.134 1.00 0.00 N ATOM 498 CA LYS A 31 6.848 4.588 14.242 1.00 0.00 C ATOM 499 C LYS A 31 6.460 3.191 13.766 1.00 0.00 C ATOM 500 O LYS A 31 7.303 2.298 13.678 1.00 0.00 O ATOM 501 CB LYS A 31 8.197 4.531 14.964 1.00 0.00 C ATOM 502 CG LYS A 31 8.999 5.794 14.645 1.00 0.00 C ATOM 503 CD LYS A 31 8.332 7.006 15.301 1.00 0.00 C ATOM 504 CE LYS A 31 9.407 7.966 15.809 1.00 0.00 C ATOM 505 NZ LYS A 31 10.115 7.351 16.967 1.00 0.00 N ATOM 0 H LYS A 31 5.921 4.842 16.108 1.00 0.00 H new ATOM 0 HA LYS A 31 6.928 5.241 13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.043 4.447 16.040 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.752 3.646 14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.022 5.689 15.007 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.056 5.938 13.566 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.687 7.512 14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.698 6.683 16.127 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.116 8.189 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.954 8.912 16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.431 8.098 17.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.469 6.707 17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.940 6.818 16.626 1.00 0.00 H new ATOM 519 N LEU A 32 5.181 3.012 13.456 1.00 0.00 N ATOM 520 CA LEU A 32 4.695 1.719 12.987 1.00 0.00 C ATOM 521 C LEU A 32 4.218 1.820 11.541 1.00 0.00 C ATOM 522 O LEU A 32 3.390 2.667 11.207 1.00 0.00 O ATOM 523 CB LEU A 32 3.544 1.240 13.875 1.00 0.00 C ATOM 524 CG LEU A 32 4.082 0.259 14.918 1.00 0.00 C ATOM 525 CD1 LEU A 32 3.094 0.156 16.082 1.00 0.00 C ATOM 526 CD2 LEU A 32 4.257 -1.119 14.277 1.00 0.00 C ATOM 0 H LEU A 32 4.467 3.738 13.520 1.00 0.00 H new ATOM 0 HA LEU A 32 5.515 1.002 13.038 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.072 2.090 14.368 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.778 0.758 13.268 1.00 0.00 H new ATOM 0 HG LEU A 32 5.043 0.615 15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.478 -0.543 16.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.967 1.137 16.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.132 -0.200 15.712 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.640 -1.819 15.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.295 -1.473 13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.961 -1.048 13.448 1.00 0.00 H new ATOM 538 N ILE A 33 4.750 0.951 10.686 1.00 0.00 N ATOM 539 CA ILE A 33 4.375 0.954 9.276 1.00 0.00 C ATOM 540 C ILE A 33 3.091 0.160 9.055 1.00 0.00 C ATOM 541 O ILE A 33 2.969 -0.981 9.502 1.00 0.00 O ATOM 542 CB ILE A 33 5.501 0.353 8.433 1.00 0.00 C ATOM 543 CG1 ILE A 33 4.999 0.108 7.007 1.00 0.00 C ATOM 544 CG2 ILE A 33 5.950 -0.974 9.048 1.00 0.00 C ATOM 545 CD1 ILE A 33 6.168 0.222 6.027 1.00 0.00 C ATOM 0 H ILE A 33 5.436 0.241 10.942 1.00 0.00 H new ATOM 0 HA ILE A 33 4.204 1.986 8.971 1.00 0.00 H new ATOM 0 HB ILE A 33 6.342 1.046 8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.545 -0.880 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.226 0.833 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.752 -1.401 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.310 -0.802 10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.108 -1.666 9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.810 0.048 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.602 1.220 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.926 -0.520 6.277 1.00 0.00 H new ATOM 557 N LEU A 34 2.140 0.771 8.357 1.00 0.00 N ATOM 558 CA LEU A 34 0.867 0.118 8.072 1.00 0.00 C ATOM 559 C LEU A 34 0.661 0.012 6.565 1.00 0.00 C ATOM 560 O LEU A 34 -0.306 0.545 6.020 1.00 0.00 O ATOM 561 CB LEU A 34 -0.281 0.918 8.697 1.00 0.00 C ATOM 562 CG LEU A 34 -0.315 0.688 10.211 1.00 0.00 C ATOM 563 CD1 LEU A 34 0.289 1.899 10.925 1.00 0.00 C ATOM 564 CD2 LEU A 34 -1.766 0.505 10.664 1.00 0.00 C ATOM 0 H LEU A 34 2.226 1.715 7.979 1.00 0.00 H new ATOM 0 HA LEU A 34 0.880 -0.884 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.153 1.979 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.230 0.616 8.253 1.00 0.00 H new ATOM 0 HG LEU A 34 0.261 -0.204 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.265 1.736 12.002 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.321 2.035 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.288 2.791 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.793 0.341 11.741 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.339 1.399 10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.200 -0.356 10.155 1.00 0.00 H new ATOM 576 N GLN A 35 1.585 -0.673 5.898 1.00 0.00 N ATOM 577 CA GLN A 35 1.506 -0.838 4.451 1.00 0.00 C ATOM 578 C GLN A 35 0.594 -2.002 4.081 1.00 0.00 C ATOM 579 O GLN A 35 0.611 -3.052 4.723 1.00 0.00 O ATOM 580 CB GLN A 35 2.902 -1.083 3.877 1.00 0.00 C ATOM 581 CG GLN A 35 2.907 -0.744 2.385 1.00 0.00 C ATOM 582 CD GLN A 35 1.966 -1.678 1.632 1.00 0.00 C ATOM 583 OE1 GLN A 35 1.218 -1.237 0.759 1.00 0.00 O ATOM 584 NE2 GLN A 35 1.958 -2.952 1.917 1.00 0.00 N ATOM 0 H GLN A 35 2.392 -1.120 6.333 1.00 0.00 H new ATOM 0 HA GLN A 35 1.090 0.077 4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.635 -0.471 4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.190 -2.124 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.599 0.291 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.918 -0.835 1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.578 -3.317 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.332 -3.583 1.416 1.00 0.00 H new ATOM 593 N GLY A 36 -0.197 -1.802 3.034 1.00 0.00 N ATOM 594 CA GLY A 36 -1.116 -2.831 2.566 1.00 0.00 C ATOM 595 C GLY A 36 -1.747 -2.416 1.243 1.00 0.00 C ATOM 596 O GLY A 36 -1.856 -1.226 0.945 1.00 0.00 O ATOM 0 H GLY A 36 -0.220 -0.937 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.584 -3.774 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.894 -2.999 3.311 1.00 0.00 H new ATOM 600 N CYS A 37 -2.152 -3.397 0.447 1.00 0.00 N ATOM 601 CA CYS A 37 -2.760 -3.106 -0.846 1.00 0.00 C ATOM 602 C CYS A 37 -4.272 -3.312 -0.804 1.00 0.00 C ATOM 603 O CYS A 37 -4.802 -3.917 0.128 1.00 0.00 O ATOM 604 CB CYS A 37 -2.154 -4.005 -1.923 1.00 0.00 C ATOM 605 SG CYS A 37 -0.670 -4.811 -1.279 1.00 0.00 S ATOM 0 H CYS A 37 -2.072 -4.389 0.669 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.560 -2.061 -1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.881 -4.755 -2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.905 -3.415 -2.805 1.00 0.00 H new ATOM 610 N SER A 38 -4.960 -2.805 -1.825 1.00 0.00 N ATOM 611 CA SER A 38 -6.411 -2.939 -1.902 1.00 0.00 C ATOM 612 C SER A 38 -6.914 -2.540 -3.286 1.00 0.00 C ATOM 613 O SER A 38 -6.228 -1.836 -4.027 1.00 0.00 O ATOM 614 CB SER A 38 -7.071 -2.053 -0.846 1.00 0.00 C ATOM 615 OG SER A 38 -8.485 -2.157 -0.964 1.00 0.00 O ATOM 0 H SER A 38 -4.538 -2.301 -2.605 1.00 0.00 H new ATOM 0 HA SER A 38 -6.671 -3.982 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.754 -2.358 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.759 -1.017 -0.977 1.00 0.00 H new ATOM 0 HG SER A 38 -8.912 -1.591 -0.287 1.00 0.00 H new ATOM 621 N SER A 39 -8.117 -2.994 -3.626 1.00 0.00 N ATOM 622 CA SER A 39 -8.703 -2.677 -4.923 1.00 0.00 C ATOM 623 C SER A 39 -9.288 -1.268 -4.918 1.00 0.00 C ATOM 624 O SER A 39 -9.307 -0.591 -5.946 1.00 0.00 O ATOM 625 CB SER A 39 -9.800 -3.686 -5.259 1.00 0.00 C ATOM 626 OG SER A 39 -9.616 -4.856 -4.473 1.00 0.00 O ATOM 0 H SER A 39 -8.700 -3.578 -3.027 1.00 0.00 H new ATOM 0 HA SER A 39 -7.918 -2.728 -5.678 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.781 -3.253 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.768 -3.937 -6.319 1.00 0.00 H new ATOM 0 HG SER A 39 -10.319 -5.506 -4.684 1.00 0.00 H new ATOM 632 N SER A 40 -9.762 -0.832 -3.756 1.00 0.00 N ATOM 633 CA SER A 40 -10.342 0.500 -3.632 1.00 0.00 C ATOM 634 C SER A 40 -9.736 1.238 -2.442 1.00 0.00 C ATOM 635 O SER A 40 -10.264 1.187 -1.332 1.00 0.00 O ATOM 636 CB SER A 40 -11.858 0.400 -3.462 1.00 0.00 C ATOM 637 OG SER A 40 -12.485 0.628 -4.718 1.00 0.00 O ATOM 0 H SER A 40 -9.756 -1.376 -2.893 1.00 0.00 H new ATOM 0 HA SER A 40 -10.120 1.059 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.129 -0.584 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.203 1.132 -2.731 1.00 0.00 H new ATOM 0 HG SER A 40 -13.457 0.563 -4.615 1.00 0.00 H new ATOM 643 N CYS A 41 -8.622 1.921 -2.687 1.00 0.00 N ATOM 644 CA CYS A 41 -7.939 2.668 -1.636 1.00 0.00 C ATOM 645 C CYS A 41 -8.506 4.080 -1.521 1.00 0.00 C ATOM 646 O CYS A 41 -9.143 4.580 -2.449 1.00 0.00 O ATOM 647 CB CYS A 41 -6.444 2.744 -1.951 1.00 0.00 C ATOM 648 SG CYS A 41 -5.618 3.814 -0.745 1.00 0.00 S ATOM 0 H CYS A 41 -8.174 1.973 -3.602 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.092 2.152 -0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.006 1.746 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.294 3.132 -2.958 1.00 0.00 H new ATOM 653 N SER A 42 -8.269 4.719 -0.380 1.00 0.00 N ATOM 654 CA SER A 42 -8.760 6.076 -0.160 1.00 0.00 C ATOM 655 C SER A 42 -7.597 7.044 0.020 1.00 0.00 C ATOM 656 O SER A 42 -7.106 7.241 1.132 1.00 0.00 O ATOM 657 CB SER A 42 -9.655 6.116 1.079 1.00 0.00 C ATOM 658 OG SER A 42 -10.815 6.887 0.793 1.00 0.00 O ATOM 0 H SER A 42 -7.745 4.324 0.401 1.00 0.00 H new ATOM 0 HA SER A 42 -9.338 6.377 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.939 5.105 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.114 6.550 1.920 1.00 0.00 H new ATOM 0 HG SER A 42 -11.393 6.914 1.584 1.00 0.00 H new ATOM 664 N GLU A 43 -7.163 7.650 -1.080 1.00 0.00 N ATOM 665 CA GLU A 43 -6.058 8.598 -1.031 1.00 0.00 C ATOM 666 C GLU A 43 -6.312 9.659 0.035 1.00 0.00 C ATOM 667 O GLU A 43 -7.145 10.548 -0.145 1.00 0.00 O ATOM 668 CB GLU A 43 -5.888 9.276 -2.392 1.00 0.00 C ATOM 669 CG GLU A 43 -5.453 8.241 -3.430 1.00 0.00 C ATOM 670 CD GLU A 43 -5.346 8.897 -4.801 1.00 0.00 C ATOM 671 OE1 GLU A 43 -4.303 9.460 -5.088 1.00 0.00 O ATOM 672 OE2 GLU A 43 -6.311 8.829 -5.545 1.00 0.00 O ATOM 0 H GLU A 43 -7.557 7.503 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.148 8.053 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.825 9.741 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.146 10.071 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.492 7.810 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.172 7.422 -3.464 1.00 0.00 H new ATOM 679 N THR A 44 -5.589 9.558 1.144 1.00 0.00 N ATOM 680 CA THR A 44 -5.741 10.514 2.235 1.00 0.00 C ATOM 681 C THR A 44 -4.386 10.839 2.854 1.00 0.00 C ATOM 682 O THR A 44 -3.436 10.064 2.734 1.00 0.00 O ATOM 683 CB THR A 44 -6.670 9.942 3.308 1.00 0.00 C ATOM 684 OG1 THR A 44 -6.328 8.584 3.553 1.00 0.00 O ATOM 685 CG2 THR A 44 -8.121 10.027 2.832 1.00 0.00 C ATOM 0 H THR A 44 -4.896 8.829 1.312 1.00 0.00 H new ATOM 0 HA THR A 44 -6.174 11.430 1.832 1.00 0.00 H new ATOM 0 HB THR A 44 -6.559 10.517 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.441 8.064 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.780 9.619 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.382 11.069 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.236 9.454 1.912 1.00 0.00 H new ATOM 693 N GLU A 45 -4.305 11.990 3.512 1.00 0.00 N ATOM 694 CA GLU A 45 -3.061 12.412 4.147 1.00 0.00 C ATOM 695 C GLU A 45 -2.500 11.301 5.029 1.00 0.00 C ATOM 696 O GLU A 45 -1.285 11.154 5.161 1.00 0.00 O ATOM 697 CB GLU A 45 -3.310 13.659 4.996 1.00 0.00 C ATOM 698 CG GLU A 45 -3.270 14.903 4.106 1.00 0.00 C ATOM 699 CD GLU A 45 -4.029 14.642 2.809 1.00 0.00 C ATOM 700 OE1 GLU A 45 -3.458 14.023 1.926 1.00 0.00 O ATOM 701 OE2 GLU A 45 -5.169 15.065 2.718 1.00 0.00 O ATOM 0 H GLU A 45 -5.080 12.644 3.620 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.336 12.638 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.278 13.586 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.555 13.735 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.712 15.750 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.236 15.169 3.885 1.00 0.00 H new ATOM 708 N ASN A 46 -3.393 10.525 5.635 1.00 0.00 N ATOM 709 CA ASN A 46 -2.975 9.435 6.509 1.00 0.00 C ATOM 710 C ASN A 46 -2.772 8.152 5.710 1.00 0.00 C ATOM 711 O ASN A 46 -1.843 7.387 5.972 1.00 0.00 O ATOM 712 CB ASN A 46 -4.037 9.204 7.588 1.00 0.00 C ATOM 713 CG ASN A 46 -3.379 9.001 8.951 1.00 0.00 C ATOM 714 OD1 ASN A 46 -2.167 9.165 9.091 1.00 0.00 O ATOM 715 ND2 ASN A 46 -4.113 8.651 9.972 1.00 0.00 N ATOM 0 H ASN A 46 -4.403 10.629 5.538 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.029 9.708 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.715 10.057 7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.638 8.331 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.682 8.513 10.886 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.117 8.515 9.856 1.00 0.00 H new ATOM 722 N ASN A 47 -3.645 7.921 4.735 1.00 0.00 N ATOM 723 CA ASN A 47 -3.550 6.725 3.905 1.00 0.00 C ATOM 724 C ASN A 47 -3.566 7.098 2.429 1.00 0.00 C ATOM 725 O ASN A 47 -4.608 7.457 1.882 1.00 0.00 O ATOM 726 CB ASN A 47 -4.714 5.782 4.217 1.00 0.00 C ATOM 727 CG ASN A 47 -5.032 4.914 3.004 1.00 0.00 C ATOM 728 OD1 ASN A 47 -4.416 3.866 2.813 1.00 0.00 O ATOM 729 ND2 ASN A 47 -5.964 5.288 2.170 1.00 0.00 N ATOM 0 H ASN A 47 -4.421 8.541 4.501 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.609 6.221 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.461 5.150 5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.594 6.360 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.183 4.711 1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.473 6.157 2.331 1.00 0.00 H new ATOM 736 N LYS A 48 -2.404 7.014 1.790 1.00 0.00 N ATOM 737 CA LYS A 48 -2.299 7.351 0.374 1.00 0.00 C ATOM 738 C LYS A 48 -2.474 6.108 -0.491 1.00 0.00 C ATOM 739 O LYS A 48 -2.528 4.989 0.018 1.00 0.00 O ATOM 740 CB LYS A 48 -0.939 7.990 0.087 1.00 0.00 C ATOM 741 CG LYS A 48 -0.720 9.178 1.029 1.00 0.00 C ATOM 742 CD LYS A 48 -0.560 10.461 0.210 1.00 0.00 C ATOM 743 CE LYS A 48 0.844 10.508 -0.396 1.00 0.00 C ATOM 744 NZ LYS A 48 0.791 11.184 -1.723 1.00 0.00 N ATOM 0 H LYS A 48 -1.530 6.719 2.224 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.091 8.060 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.145 7.255 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.894 8.322 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.564 9.274 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.167 9.012 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.310 10.497 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.723 11.332 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.521 11.043 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.238 9.498 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.745 11.216 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.158 10.656 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.432 12.153 -1.605 1.00 0.00 H new ATOM 758 N CYS A 49 -2.560 6.312 -1.802 1.00 0.00 N ATOM 759 CA CYS A 49 -2.726 5.196 -2.727 1.00 0.00 C ATOM 760 C CYS A 49 -1.884 5.395 -3.983 1.00 0.00 C ATOM 761 O CYS A 49 -1.929 6.451 -4.614 1.00 0.00 O ATOM 762 CB CYS A 49 -4.195 5.054 -3.128 1.00 0.00 C ATOM 763 SG CYS A 49 -5.260 5.536 -1.744 1.00 0.00 S ATOM 0 H CYS A 49 -2.518 7.230 -2.245 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.394 4.291 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.406 5.679 -3.996 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.404 4.024 -3.418 1.00 0.00 H new ATOM 768 N CYS A 50 -1.128 4.366 -4.350 1.00 0.00 N ATOM 769 CA CYS A 50 -0.290 4.430 -5.543 1.00 0.00 C ATOM 770 C CYS A 50 -0.613 3.267 -6.475 1.00 0.00 C ATOM 771 O CYS A 50 -1.292 2.318 -6.083 1.00 0.00 O ATOM 772 CB CYS A 50 1.191 4.381 -5.156 1.00 0.00 C ATOM 773 SG CYS A 50 1.434 3.165 -3.839 1.00 0.00 S ATOM 0 H CYS A 50 -1.078 3.483 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.493 5.369 -6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.796 4.118 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.523 5.364 -4.823 1.00 0.00 H new ATOM 778 N SER A 51 -0.127 3.347 -7.709 1.00 0.00 N ATOM 779 CA SER A 51 -0.379 2.292 -8.684 1.00 0.00 C ATOM 780 C SER A 51 0.824 2.115 -9.607 1.00 0.00 C ATOM 781 O SER A 51 0.673 1.952 -10.817 1.00 0.00 O ATOM 782 CB SER A 51 -1.618 2.635 -9.513 1.00 0.00 C ATOM 783 OG SER A 51 -2.221 3.811 -8.989 1.00 0.00 O ATOM 0 H SER A 51 0.438 4.123 -8.055 1.00 0.00 H new ATOM 0 HA SER A 51 -0.548 1.358 -8.147 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.341 2.788 -10.556 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.327 1.807 -9.489 1.00 0.00 H new ATOM 0 HG SER A 51 -3.170 3.641 -8.811 1.00 0.00 H new ATOM 789 N THR A 52 2.017 2.144 -9.025 1.00 0.00 N ATOM 790 CA THR A 52 3.239 1.984 -9.803 1.00 0.00 C ATOM 791 C THR A 52 4.113 0.884 -9.210 1.00 0.00 C ATOM 792 O THR A 52 5.332 0.881 -9.388 1.00 0.00 O ATOM 793 CB THR A 52 4.015 3.303 -9.823 1.00 0.00 C ATOM 794 OG1 THR A 52 3.109 4.378 -10.027 1.00 0.00 O ATOM 795 CG2 THR A 52 5.042 3.278 -10.956 1.00 0.00 C ATOM 0 H THR A 52 2.164 2.276 -8.024 1.00 0.00 H new ATOM 0 HA THR A 52 2.968 1.704 -10.821 1.00 0.00 H new ATOM 0 HB THR A 52 4.531 3.436 -8.872 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.603 5.224 -10.039 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.593 4.218 -10.968 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.736 2.452 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.529 3.146 -11.909 1.00 0.00 H new ATOM 803 N ASP A 53 3.483 -0.051 -8.504 1.00 0.00 N ATOM 804 CA ASP A 53 4.214 -1.153 -7.886 1.00 0.00 C ATOM 805 C ASP A 53 5.330 -0.618 -6.996 1.00 0.00 C ATOM 806 O ASP A 53 5.827 0.487 -7.205 1.00 0.00 O ATOM 807 CB ASP A 53 4.812 -2.058 -8.965 1.00 0.00 C ATOM 808 CG ASP A 53 3.702 -2.650 -9.825 1.00 0.00 C ATOM 809 OD1 ASP A 53 2.611 -2.104 -9.808 1.00 0.00 O ATOM 810 OD2 ASP A 53 3.958 -3.641 -10.490 1.00 0.00 O ATOM 0 H ASP A 53 2.475 -0.068 -8.346 1.00 0.00 H new ATOM 0 HA ASP A 53 3.518 -1.729 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.501 -1.488 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.389 -2.858 -8.501 1.00 0.00 H new ATOM 815 N ARG A 54 5.719 -1.410 -5.999 1.00 0.00 N ATOM 816 CA ARG A 54 6.776 -0.998 -5.085 1.00 0.00 C ATOM 817 C ARG A 54 6.774 0.517 -4.927 1.00 0.00 C ATOM 818 O ARG A 54 7.817 1.131 -4.711 1.00 0.00 O ATOM 819 CB ARG A 54 8.136 -1.456 -5.613 1.00 0.00 C ATOM 820 CG ARG A 54 8.174 -1.300 -7.135 1.00 0.00 C ATOM 821 CD ARG A 54 9.501 -1.833 -7.674 1.00 0.00 C ATOM 822 NE ARG A 54 9.278 -2.599 -8.894 1.00 0.00 N ATOM 823 CZ ARG A 54 10.175 -3.477 -9.328 1.00 0.00 C ATOM 824 NH1 ARG A 54 11.279 -3.667 -8.659 1.00 0.00 N ATOM 825 NH2 ARG A 54 9.952 -4.150 -10.424 1.00 0.00 N ATOM 0 H ARG A 54 5.322 -2.330 -5.807 1.00 0.00 H new ATOM 0 HA ARG A 54 6.594 -1.459 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.932 -0.867 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.312 -2.496 -5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.343 -1.842 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.055 -0.251 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.179 -1.004 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.980 -2.462 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 54 8.418 -2.458 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.453 -3.141 -7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.968 -4.341 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.089 -4.002 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.641 -4.824 -10.757 1.00 0.00 H new ATOM 839 N CYS A 55 5.591 1.113 -5.041 1.00 0.00 N ATOM 840 CA CYS A 55 5.462 2.560 -4.913 1.00 0.00 C ATOM 841 C CYS A 55 5.721 2.994 -3.475 1.00 0.00 C ATOM 842 O CYS A 55 6.304 4.050 -3.230 1.00 0.00 O ATOM 843 CB CYS A 55 4.060 3.001 -5.337 1.00 0.00 C ATOM 844 SG CYS A 55 2.833 1.908 -4.577 1.00 0.00 S ATOM 0 H CYS A 55 4.715 0.621 -5.220 1.00 0.00 H new ATOM 0 HA CYS A 55 6.201 3.030 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.883 4.033 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.969 2.969 -6.423 1.00 0.00 H new ATOM 849 N ASN A 56 5.283 2.172 -2.529 1.00 0.00 N ATOM 850 CA ASN A 56 5.473 2.478 -1.117 1.00 0.00 C ATOM 851 C ASN A 56 6.912 2.195 -0.698 1.00 0.00 C ATOM 852 O ASN A 56 7.227 1.101 -0.228 1.00 0.00 O ATOM 853 CB ASN A 56 4.518 1.635 -0.271 1.00 0.00 C ATOM 854 CG ASN A 56 4.349 0.256 -0.895 1.00 0.00 C ATOM 855 OD1 ASN A 56 3.338 -0.409 -0.670 1.00 0.00 O ATOM 856 ND2 ASN A 56 5.286 -0.219 -1.670 1.00 0.00 N ATOM 0 H ASN A 56 4.797 1.294 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 56 5.262 3.536 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.905 1.539 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.550 2.131 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.181 -1.143 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.123 0.333 -1.855 1.00 0.00 H new ATOM 863 N LYS A 57 7.782 3.185 -0.871 1.00 0.00 N ATOM 864 CA LYS A 57 9.185 3.027 -0.507 1.00 0.00 C ATOM 865 C LYS A 57 9.312 2.509 0.923 1.00 0.00 C ATOM 866 O LYS A 57 8.364 2.659 1.674 1.00 0.00 O ATOM 867 CB LYS A 57 9.913 4.367 -0.632 1.00 0.00 C ATOM 868 CG LYS A 57 10.625 4.438 -1.984 1.00 0.00 C ATOM 869 CD LYS A 57 12.052 3.904 -1.840 1.00 0.00 C ATOM 870 CE LYS A 57 12.580 3.479 -3.211 1.00 0.00 C ATOM 871 NZ LYS A 57 12.977 4.688 -3.987 1.00 0.00 N ATOM 872 OXT LYS A 57 10.359 1.970 1.245 1.00 0.00 O ATOM 0 H LYS A 57 7.543 4.098 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 57 9.637 2.304 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.203 5.189 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.635 4.477 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.080 3.853 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.645 5.467 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.697 4.671 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.067 3.057 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.435 2.813 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.814 2.922 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.336 4.400 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.151 5.308 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.721 5.201 -3.473 1.00 0.00 H new TER 886 LYS A 57