USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 8 LYS NZ :NH3+ 162:sc= 1.23 (180deg=-0.0342) USER MOD Set 1.2: A 54 GLN : amide:sc= 1.02 K(o=2.3,f=-3.9) USER MOD Single : A 1 LYS N :NH3+ -174:sc= -0.219 (180deg=-0.462) USER MOD Single : A 1 LYS NZ :NH3+ 177:sc= 2.48 (180deg=2.44) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.455 (180deg=0.0883) USER MOD Single : A 14 TYR OH : rot -59:sc= 0.875 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0166) USER MOD Single : A 22 ASN : amide:sc= -0.19 K(o=-0.19,f=-6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0.98 (180deg=0.534) USER MOD Single : A 31 GLN : amide:sc= 0.942 K(o=0.94,f=-5.4!) USER MOD Single : A 32 GLN : amide:sc= -2.41! C(o=-2.4!,f=-4.5!) USER MOD Single : A 33 TYR OH : rot -178:sc= 1.04 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -69:sc= 1.13 USER MOD Single : A 50 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 52 TYR OH : rot 44:sc= 0.998 USER MOD Single : A 62 ASN : amide:sc= 0.502 K(o=0.5,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= 2.5 (180deg=0.339) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.502 1.853 1.698 1.00 1.00 N ATOM 2 CA LYS A 1 -9.107 1.548 1.965 1.00 1.00 C ATOM 3 C LYS A 1 -8.276 1.840 0.713 1.00 1.00 C ATOM 4 O LYS A 1 -7.059 1.669 0.718 1.00 1.00 O ATOM 5 CB LYS A 1 -8.960 0.114 2.479 1.00 1.00 C ATOM 6 CG LYS A 1 -9.933 -0.158 3.628 1.00 1.00 C ATOM 7 CD LYS A 1 -11.176 -0.899 3.130 1.00 1.00 C ATOM 8 CE LYS A 1 -10.807 -2.276 2.573 1.00 1.00 C ATOM 9 NZ LYS A 1 -11.240 -2.397 1.162 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.053 1.753 2.574 1.00 1.00 H new ATOM 0 H2 LYS A 1 -10.583 2.829 1.347 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.870 1.196 0.981 1.00 1.00 H new ATOM 0 HA LYS A 1 -8.723 2.188 2.760 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.146 -0.588 1.666 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -7.937 -0.052 2.817 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -9.437 -0.749 4.397 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -10.228 0.784 4.091 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -11.888 -1.012 3.947 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -11.669 -0.310 2.357 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -9.730 -2.427 2.643 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -11.278 -3.055 3.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -10.937 -3.317 0.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -12.276 -2.325 1.109 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -10.811 -1.634 0.601 1.00 1.00 H new ATOM 25 N GLU A 2 -8.969 2.278 -0.327 1.00 1.00 N ATOM 26 CA GLU A 2 -8.448 2.154 -1.679 1.00 1.00 C ATOM 27 C GLU A 2 -7.512 3.322 -1.996 1.00 1.00 C ATOM 28 O GLU A 2 -7.471 4.306 -1.259 1.00 1.00 O ATOM 29 CB GLU A 2 -9.584 2.069 -2.699 1.00 1.00 C ATOM 30 CG GLU A 2 -10.221 0.677 -2.697 1.00 1.00 C ATOM 31 CD GLU A 2 -10.704 0.298 -1.297 1.00 1.00 C ATOM 32 OE1 GLU A 2 -11.466 1.104 -0.721 1.00 1.00 O ATOM 33 OE2 GLU A 2 -10.302 -0.791 -0.833 1.00 1.00 O ATOM 0 H GLU A 2 -9.886 2.719 -0.262 1.00 1.00 H new ATOM 0 HA GLU A 2 -7.877 1.228 -1.744 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.341 2.819 -2.469 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.202 2.296 -3.694 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.060 0.656 -3.393 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -9.497 -0.059 -3.047 1.00 1.00 H new ATOM 40 N GLY A 3 -6.785 3.175 -3.093 1.00 1.00 N ATOM 41 CA GLY A 3 -5.897 4.230 -3.550 1.00 1.00 C ATOM 42 C GLY A 3 -4.824 3.676 -4.490 1.00 1.00 C ATOM 43 O GLY A 3 -4.997 2.607 -5.074 1.00 1.00 O ATOM 0 H GLY A 3 -6.793 2.340 -3.679 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.474 4.998 -4.064 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.423 4.708 -2.693 1.00 1.00 H new ATOM 47 N TYR A 4 -3.739 4.428 -4.606 1.00 1.00 N ATOM 48 CA TYR A 4 -2.660 4.050 -5.502 1.00 1.00 C ATOM 49 C TYR A 4 -1.790 2.954 -4.883 1.00 1.00 C ATOM 50 O TYR A 4 -1.241 3.132 -3.797 1.00 1.00 O ATOM 51 CB TYR A 4 -1.812 5.310 -5.694 1.00 1.00 C ATOM 52 CG TYR A 4 -2.597 6.517 -6.211 1.00 1.00 C ATOM 53 CD1 TYR A 4 -3.148 6.491 -7.476 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.755 7.632 -5.412 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.887 7.627 -7.962 1.00 1.00 C ATOM 56 CE2 TYR A 4 -3.494 8.766 -5.898 1.00 1.00 C ATOM 57 CZ TYR A 4 -4.024 8.709 -7.149 1.00 1.00 C ATOM 58 OH TYR A 4 -4.722 9.781 -7.610 1.00 1.00 O ATOM 0 H TYR A 4 -3.584 5.297 -4.094 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.058 3.665 -6.441 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.348 5.572 -4.743 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -1.005 5.089 -6.392 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -3.025 5.619 -8.101 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -2.324 7.653 -4.422 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -4.323 7.620 -8.950 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.625 9.644 -5.283 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.740 10.480 -6.923 1.00 1.00 H new ATOM 68 N LEU A 5 -1.693 1.844 -5.601 1.00 1.00 N ATOM 69 CA LEU A 5 -1.101 0.642 -5.043 1.00 1.00 C ATOM 70 C LEU A 5 0.336 0.940 -4.608 1.00 1.00 C ATOM 71 O LEU A 5 0.933 1.918 -5.057 1.00 1.00 O ATOM 72 CB LEU A 5 -1.214 -0.520 -6.032 1.00 1.00 C ATOM 73 CG LEU A 5 -0.154 -0.571 -7.133 1.00 1.00 C ATOM 74 CD1 LEU A 5 0.638 -1.879 -7.073 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.781 -0.345 -8.510 1.00 1.00 C ATOM 0 H LEU A 5 -2.015 1.753 -6.565 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.646 0.328 -4.153 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.171 -1.454 -5.471 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.196 -0.476 -6.503 1.00 1.00 H new ATOM 0 HG LEU A 5 0.552 0.242 -6.963 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.385 -1.889 -7.867 1.00 1.00 H new ATOM 0 HD12 LEU A 5 1.135 -1.959 -6.106 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.041 -2.722 -7.203 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.005 -0.386 -9.274 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.523 -1.120 -8.704 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -1.263 0.633 -8.534 1.00 1.00 H new ATOM 87 N VAL A 6 0.848 0.080 -3.740 1.00 1.00 N ATOM 88 CA VAL A 6 2.234 0.183 -3.314 1.00 1.00 C ATOM 89 C VAL A 6 2.903 -1.188 -3.435 1.00 1.00 C ATOM 90 O VAL A 6 2.243 -2.218 -3.303 1.00 1.00 O ATOM 91 CB VAL A 6 2.305 0.760 -1.900 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.673 -0.194 -0.885 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.747 1.093 -1.515 1.00 1.00 C ATOM 0 H VAL A 6 0.329 -0.691 -3.320 1.00 1.00 H new ATOM 0 HA VAL A 6 2.782 0.870 -3.959 1.00 1.00 H new ATOM 0 HB VAL A 6 1.733 1.688 -1.889 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.737 0.241 0.112 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.627 -0.358 -1.143 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.204 -1.146 -0.900 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.769 1.502 -0.505 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.352 0.187 -1.553 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.149 1.828 -2.212 1.00 1.00 H new ATOM 103 N ASP A 7 4.203 -1.156 -3.682 1.00 1.00 N ATOM 104 CA ASP A 7 5.000 -2.371 -3.651 1.00 1.00 C ATOM 105 C ASP A 7 5.312 -2.735 -2.198 1.00 1.00 C ATOM 106 O ASP A 7 5.440 -1.855 -1.349 1.00 1.00 O ATOM 107 CB ASP A 7 6.329 -2.176 -4.385 1.00 1.00 C ATOM 108 CG ASP A 7 7.101 -3.465 -4.677 1.00 1.00 C ATOM 109 OD1 ASP A 7 6.722 -4.144 -5.655 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.054 -3.740 -3.916 1.00 1.00 O ATOM 0 H ASP A 7 4.725 -0.309 -3.905 1.00 1.00 H new ATOM 0 HA ASP A 7 4.430 -3.161 -4.140 1.00 1.00 H new ATOM 0 HB2 ASP A 7 6.135 -1.665 -5.328 1.00 1.00 H new ATOM 0 HB3 ASP A 7 6.962 -1.518 -3.790 1.00 1.00 H new ATOM 115 N LYS A 8 5.424 -4.032 -1.958 1.00 1.00 N ATOM 116 CA LYS A 8 5.562 -4.533 -0.600 1.00 1.00 C ATOM 117 C LYS A 8 7.046 -4.655 -0.254 1.00 1.00 C ATOM 118 O LYS A 8 7.408 -4.773 0.916 1.00 1.00 O ATOM 119 CB LYS A 8 4.780 -5.837 -0.428 1.00 1.00 C ATOM 120 CG LYS A 8 3.401 -5.575 0.180 1.00 1.00 C ATOM 121 CD LYS A 8 3.487 -5.455 1.702 1.00 1.00 C ATOM 122 CE LYS A 8 2.193 -4.877 2.280 1.00 1.00 C ATOM 123 NZ LYS A 8 1.058 -5.792 2.024 1.00 1.00 N ATOM 0 H LYS A 8 5.422 -4.752 -2.680 1.00 1.00 H new ATOM 0 HA LYS A 8 5.126 -3.831 0.111 1.00 1.00 H new ATOM 0 HB2 LYS A 8 4.668 -6.328 -1.395 1.00 1.00 H new ATOM 0 HB3 LYS A 8 5.340 -6.519 0.212 1.00 1.00 H new ATOM 0 HG2 LYS A 8 2.984 -4.659 -0.238 1.00 1.00 H new ATOM 0 HG3 LYS A 8 2.722 -6.385 -0.087 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.678 -6.436 2.138 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.328 -4.817 1.973 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.306 -4.719 3.353 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.991 -3.903 1.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.272 -5.557 2.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 0.745 -5.690 1.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.359 -6.773 2.192 1.00 1.00 H new ATOM 137 N ASN A 9 7.868 -4.622 -1.294 1.00 1.00 N ATOM 138 CA ASN A 9 9.295 -4.839 -1.127 1.00 1.00 C ATOM 139 C ASN A 9 10.010 -3.487 -1.084 1.00 1.00 C ATOM 140 O ASN A 9 10.459 -3.052 -0.025 1.00 1.00 O ATOM 141 CB ASN A 9 9.871 -5.641 -2.295 1.00 1.00 C ATOM 142 CG ASN A 9 10.177 -7.080 -1.875 1.00 1.00 C ATOM 143 OD1 ASN A 9 9.389 -7.992 -2.065 1.00 1.00 O ATOM 144 ND2 ASN A 9 11.364 -7.232 -1.294 1.00 1.00 N ATOM 0 H ASN A 9 7.572 -4.448 -2.255 1.00 1.00 H new ATOM 0 HA ASN A 9 9.446 -5.393 -0.200 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.163 -5.643 -3.123 1.00 1.00 H new ATOM 0 HB3 ASN A 9 10.782 -5.162 -2.655 1.00 1.00 H new ATOM 0 HD21 ASN A 9 11.662 -8.154 -0.977 1.00 1.00 H new ATOM 0 HD22 ASN A 9 11.976 -6.426 -1.165 1.00 1.00 H new ATOM 151 N THR A 10 10.094 -2.861 -2.248 1.00 1.00 N ATOM 152 CA THR A 10 10.850 -1.627 -2.382 1.00 1.00 C ATOM 153 C THR A 10 9.990 -0.428 -1.976 1.00 1.00 C ATOM 154 O THR A 10 10.505 0.674 -1.790 1.00 1.00 O ATOM 155 CB THR A 10 11.370 -1.544 -3.818 1.00 1.00 C ATOM 156 OG1 THR A 10 10.345 -2.159 -4.594 1.00 1.00 O ATOM 157 CG2 THR A 10 12.595 -2.431 -4.049 1.00 1.00 C ATOM 0 H THR A 10 9.651 -3.185 -3.108 1.00 1.00 H new ATOM 0 HA THR A 10 11.708 -1.614 -1.710 1.00 1.00 H new ATOM 0 HB THR A 10 11.621 -0.510 -4.054 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.599 -2.147 -5.540 1.00 1.00 H new ATOM 0 HG21 THR A 10 12.924 -2.335 -5.084 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.400 -2.121 -3.382 1.00 1.00 H new ATOM 0 HG23 THR A 10 12.335 -3.470 -3.846 1.00 1.00 H new ATOM 165 N GLY A 11 8.697 -0.684 -1.852 1.00 1.00 N ATOM 166 CA GLY A 11 7.766 0.353 -1.438 1.00 1.00 C ATOM 167 C GLY A 11 7.835 1.559 -2.376 1.00 1.00 C ATOM 168 O GLY A 11 7.666 2.698 -1.942 1.00 1.00 O ATOM 0 H GLY A 11 8.271 -1.594 -2.031 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.752 -0.047 -1.428 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.995 0.667 -0.420 1.00 1.00 H new ATOM 172 N CYS A 12 8.086 1.269 -3.644 1.00 1.00 N ATOM 173 CA CYS A 12 8.162 2.315 -4.650 1.00 1.00 C ATOM 174 C CYS A 12 6.883 2.266 -5.489 1.00 1.00 C ATOM 175 O CYS A 12 6.358 1.190 -5.768 1.00 1.00 O ATOM 176 CB CYS A 12 9.416 2.178 -5.514 1.00 1.00 C ATOM 177 SG CYS A 12 10.583 3.584 -5.401 1.00 1.00 S ATOM 0 H CYS A 12 8.239 0.325 -3.998 1.00 1.00 H new ATOM 0 HA CYS A 12 8.240 3.287 -4.163 1.00 1.00 H new ATOM 0 HB2 CYS A 12 9.939 1.266 -5.228 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.112 2.059 -6.554 1.00 1.00 H new ATOM 182 N LYS A 13 6.417 3.448 -5.867 1.00 1.00 N ATOM 183 CA LYS A 13 5.249 3.552 -6.726 1.00 1.00 C ATOM 184 C LYS A 13 5.576 2.957 -8.098 1.00 1.00 C ATOM 185 O LYS A 13 6.745 2.793 -8.444 1.00 1.00 O ATOM 186 CB LYS A 13 4.755 4.999 -6.785 1.00 1.00 C ATOM 187 CG LYS A 13 5.721 5.877 -7.584 1.00 1.00 C ATOM 188 CD LYS A 13 5.270 7.339 -7.573 1.00 1.00 C ATOM 189 CE LYS A 13 6.411 8.267 -7.994 1.00 1.00 C ATOM 190 NZ LYS A 13 6.761 8.047 -9.415 1.00 1.00 N ATOM 0 H LYS A 13 6.827 4.341 -5.594 1.00 1.00 H new ATOM 0 HA LYS A 13 4.421 2.973 -6.316 1.00 1.00 H new ATOM 0 HB2 LYS A 13 3.766 5.031 -7.242 1.00 1.00 H new ATOM 0 HB3 LYS A 13 4.651 5.393 -5.774 1.00 1.00 H new ATOM 0 HG2 LYS A 13 6.723 5.799 -7.162 1.00 1.00 H new ATOM 0 HG3 LYS A 13 5.779 5.518 -8.612 1.00 1.00 H new ATOM 0 HD2 LYS A 13 4.424 7.468 -8.248 1.00 1.00 H new ATOM 0 HD3 LYS A 13 4.926 7.610 -6.575 1.00 1.00 H new ATOM 0 HE2 LYS A 13 6.117 9.306 -7.842 1.00 1.00 H new ATOM 0 HE3 LYS A 13 7.284 8.088 -7.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 7.649 8.542 -9.635 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 6.880 7.029 -9.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 6.000 8.415 -10.021 1.00 1.00 H new ATOM 204 N TYR A 14 4.522 2.651 -8.840 1.00 1.00 N ATOM 205 CA TYR A 14 4.680 1.989 -10.124 1.00 1.00 C ATOM 206 C TYR A 14 4.541 2.987 -11.275 1.00 1.00 C ATOM 207 O TYR A 14 5.232 2.873 -12.287 1.00 1.00 O ATOM 208 CB TYR A 14 3.545 0.966 -10.213 1.00 1.00 C ATOM 209 CG TYR A 14 3.837 -0.351 -9.489 1.00 1.00 C ATOM 210 CD1 TYR A 14 3.780 -0.408 -8.112 1.00 1.00 C ATOM 211 CD2 TYR A 14 4.156 -1.479 -10.216 1.00 1.00 C ATOM 212 CE1 TYR A 14 4.054 -1.648 -7.431 1.00 1.00 C ATOM 213 CE2 TYR A 14 4.431 -2.719 -9.535 1.00 1.00 C ATOM 214 CZ TYR A 14 4.366 -2.741 -8.177 1.00 1.00 C ATOM 215 OH TYR A 14 4.625 -3.912 -7.534 1.00 1.00 O ATOM 0 H TYR A 14 3.556 2.849 -8.577 1.00 1.00 H new ATOM 0 HA TYR A 14 5.665 1.529 -10.200 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.639 1.406 -9.795 1.00 1.00 H new ATOM 0 HB3 TYR A 14 3.341 0.755 -11.263 1.00 1.00 H new ATOM 0 HD1 TYR A 14 3.530 0.476 -7.545 1.00 1.00 H new ATOM 0 HD2 TYR A 14 4.200 -1.433 -11.294 1.00 1.00 H new ATOM 0 HE1 TYR A 14 4.013 -1.708 -6.353 1.00 1.00 H new ATOM 0 HE2 TYR A 14 4.683 -3.610 -10.091 1.00 1.00 H new ATOM 0 HH TYR A 14 5.375 -3.787 -6.916 1.00 1.00 H new ATOM 225 N GLU A 15 3.644 3.942 -11.084 1.00 1.00 N ATOM 226 CA GLU A 15 3.548 5.073 -11.992 1.00 1.00 C ATOM 227 C GLU A 15 3.158 4.595 -13.393 1.00 1.00 C ATOM 228 O GLU A 15 4.023 4.330 -14.226 1.00 1.00 O ATOM 229 CB GLU A 15 4.859 5.861 -12.027 1.00 1.00 C ATOM 230 CG GLU A 15 4.687 7.175 -12.792 1.00 1.00 C ATOM 231 CD GLU A 15 5.934 8.053 -12.660 1.00 1.00 C ATOM 232 OE1 GLU A 15 5.988 8.816 -11.671 1.00 1.00 O ATOM 233 OE2 GLU A 15 6.804 7.941 -13.550 1.00 1.00 O ATOM 0 H GLU A 15 2.976 3.957 -10.313 1.00 1.00 H new ATOM 0 HA GLU A 15 2.770 5.743 -11.627 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.190 6.069 -11.010 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.636 5.260 -12.499 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.495 6.965 -13.844 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.818 7.711 -12.410 1.00 1.00 H new ATOM 240 N CYS A 16 1.854 4.501 -13.610 1.00 1.00 N ATOM 241 CA CYS A 16 1.337 4.132 -14.916 1.00 1.00 C ATOM 242 C CYS A 16 1.471 5.340 -15.846 1.00 1.00 C ATOM 243 O CYS A 16 0.551 6.149 -15.954 1.00 1.00 O ATOM 244 CB CYS A 16 -0.106 3.632 -14.833 1.00 1.00 C ATOM 245 SG CYS A 16 -0.876 3.235 -16.445 1.00 1.00 S ATOM 0 H CYS A 16 1.140 4.674 -12.902 1.00 1.00 H new ATOM 0 HA CYS A 16 1.917 3.301 -15.317 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.131 2.741 -14.205 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -0.710 4.390 -14.335 1.00 1.00 H new ATOM 250 N LEU A 17 2.624 5.424 -16.492 1.00 1.00 N ATOM 251 CA LEU A 17 2.799 6.357 -17.592 1.00 1.00 C ATOM 252 C LEU A 17 1.652 6.183 -18.590 1.00 1.00 C ATOM 253 O LEU A 17 1.165 5.072 -18.794 1.00 1.00 O ATOM 254 CB LEU A 17 4.186 6.196 -18.215 1.00 1.00 C ATOM 255 CG LEU A 17 4.465 4.855 -18.898 1.00 1.00 C ATOM 256 CD1 LEU A 17 4.244 4.952 -20.408 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.866 4.345 -18.555 1.00 1.00 C ATOM 0 H LEU A 17 3.447 4.861 -16.275 1.00 1.00 H new ATOM 0 HA LEU A 17 2.755 7.385 -17.231 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.327 6.990 -18.948 1.00 1.00 H new ATOM 0 HB3 LEU A 17 4.932 6.346 -17.435 1.00 1.00 H new ATOM 0 HG LEU A 17 3.754 4.123 -18.515 1.00 1.00 H new ATOM 0 HD11 LEU A 17 4.449 3.986 -20.869 1.00 1.00 H new ATOM 0 HD12 LEU A 17 3.211 5.237 -20.607 1.00 1.00 H new ATOM 0 HD13 LEU A 17 4.914 5.703 -20.826 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.038 3.391 -19.053 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.609 5.069 -18.890 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.951 4.212 -17.477 1.00 1.00 H new ATOM 269 N LYS A 18 1.254 7.297 -19.186 1.00 1.00 N ATOM 270 CA LYS A 18 0.048 7.323 -19.995 1.00 1.00 C ATOM 271 C LYS A 18 -1.157 6.980 -19.118 1.00 1.00 C ATOM 272 O LYS A 18 -1.527 5.814 -18.993 1.00 1.00 O ATOM 273 CB LYS A 18 0.201 6.411 -21.214 1.00 1.00 C ATOM 274 CG LYS A 18 -0.904 6.675 -22.239 1.00 1.00 C ATOM 275 CD LYS A 18 -0.842 5.664 -23.385 1.00 1.00 C ATOM 276 CE LYS A 18 -2.002 5.869 -24.362 1.00 1.00 C ATOM 277 NZ LYS A 18 -1.791 7.094 -25.166 1.00 1.00 N ATOM 0 H LYS A 18 1.746 8.189 -19.125 1.00 1.00 H new ATOM 0 HA LYS A 18 -0.122 8.323 -20.393 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.175 6.574 -21.674 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.168 5.368 -20.899 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.878 6.619 -21.752 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.804 7.686 -22.635 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.106 5.766 -23.914 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.875 4.651 -22.983 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.088 5.005 -25.021 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.940 5.945 -23.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.551 7.183 -25.870 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.799 7.925 -24.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -0.874 7.036 -25.653 1.00 1.00 H new ATOM 291 N LEU A 19 -1.738 8.017 -18.534 1.00 1.00 N ATOM 292 CA LEU A 19 -2.980 7.863 -17.796 1.00 1.00 C ATOM 293 C LEU A 19 -4.073 7.365 -18.744 1.00 1.00 C ATOM 294 O LEU A 19 -3.958 7.510 -19.960 1.00 1.00 O ATOM 295 CB LEU A 19 -3.340 9.162 -17.072 1.00 1.00 C ATOM 296 CG LEU A 19 -3.818 10.314 -17.960 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.343 10.437 -17.922 1.00 1.00 C ATOM 298 CD2 LEU A 19 -3.127 11.624 -17.578 1.00 1.00 C ATOM 0 H LEU A 19 -1.371 8.968 -18.557 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.867 7.111 -17.015 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.120 8.944 -16.342 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.466 9.498 -16.514 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.538 10.092 -18.990 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.657 11.262 -18.561 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.792 9.510 -18.279 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.667 10.626 -16.899 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.485 12.426 -18.224 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -3.354 11.866 -16.540 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.049 11.515 -17.698 1.00 1.00 H new ATOM 310 N GLY A 20 -5.108 6.787 -18.152 1.00 1.00 N ATOM 311 CA GLY A 20 -6.253 6.333 -18.922 1.00 1.00 C ATOM 312 C GLY A 20 -6.196 4.821 -19.149 1.00 1.00 C ATOM 313 O GLY A 20 -7.099 4.093 -18.739 1.00 1.00 O ATOM 0 H GLY A 20 -5.177 6.623 -17.148 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.173 6.591 -18.398 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.277 6.848 -19.882 1.00 1.00 H new ATOM 317 N ASP A 21 -5.127 4.392 -19.803 1.00 1.00 N ATOM 318 CA ASP A 21 -5.066 3.042 -20.335 1.00 1.00 C ATOM 319 C ASP A 21 -4.961 2.047 -19.178 1.00 1.00 C ATOM 320 O ASP A 21 -3.864 1.753 -18.703 1.00 1.00 O ATOM 321 CB ASP A 21 -3.838 2.858 -21.231 1.00 1.00 C ATOM 322 CG ASP A 21 -3.861 3.662 -22.532 1.00 1.00 C ATOM 323 OD1 ASP A 21 -4.590 4.676 -22.559 1.00 1.00 O ATOM 324 OD2 ASP A 21 -3.148 3.243 -23.470 1.00 1.00 O ATOM 0 H ASP A 21 -4.295 4.956 -19.977 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.969 2.869 -20.921 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.949 3.136 -20.665 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -3.741 1.800 -21.477 1.00 1.00 H new ATOM 329 N ASN A 22 -6.117 1.553 -18.758 1.00 1.00 N ATOM 330 CA ASN A 22 -6.179 0.674 -17.603 1.00 1.00 C ATOM 331 C ASN A 22 -5.917 -0.765 -18.049 1.00 1.00 C ATOM 332 O ASN A 22 -6.781 -1.630 -17.910 1.00 1.00 O ATOM 333 CB ASN A 22 -7.560 0.721 -16.947 1.00 1.00 C ATOM 334 CG ASN A 22 -8.656 0.352 -17.950 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.626 0.733 -19.109 1.00 1.00 O ATOM 336 ND2 ASN A 22 -9.620 -0.409 -17.442 1.00 1.00 N ATOM 0 H ASN A 22 -7.017 1.745 -19.197 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.428 1.007 -16.886 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.589 0.033 -16.102 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.745 1.720 -16.552 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -10.396 -0.710 -18.031 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.584 -0.692 -16.463 1.00 1.00 H new ATOM 343 N ASP A 23 -4.720 -0.979 -18.576 1.00 1.00 N ATOM 344 CA ASP A 23 -4.273 -2.324 -18.899 1.00 1.00 C ATOM 345 C ASP A 23 -3.236 -2.774 -17.868 1.00 1.00 C ATOM 346 O ASP A 23 -3.481 -3.702 -17.100 1.00 1.00 O ATOM 347 CB ASP A 23 -3.618 -2.369 -20.280 1.00 1.00 C ATOM 348 CG ASP A 23 -2.801 -3.631 -20.567 1.00 1.00 C ATOM 349 OD1 ASP A 23 -3.439 -4.687 -20.767 1.00 1.00 O ATOM 350 OD2 ASP A 23 -1.557 -3.510 -20.580 1.00 1.00 O ATOM 0 H ASP A 23 -4.046 -0.243 -18.787 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.144 -2.980 -18.891 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.396 -2.278 -21.038 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.967 -1.501 -20.385 1.00 1.00 H new ATOM 355 N TYR A 24 -2.099 -2.094 -17.886 1.00 1.00 N ATOM 356 CA TYR A 24 -0.992 -2.466 -17.021 1.00 1.00 C ATOM 357 C TYR A 24 -1.380 -2.337 -15.547 1.00 1.00 C ATOM 358 O TYR A 24 -0.973 -3.152 -14.720 1.00 1.00 O ATOM 359 CB TYR A 24 0.135 -1.477 -17.328 1.00 1.00 C ATOM 360 CG TYR A 24 0.664 -1.563 -18.761 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.354 -2.684 -19.175 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.453 -0.519 -19.639 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.853 -2.765 -20.524 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.952 -0.599 -20.988 1.00 1.00 C ATOM 365 CZ TYR A 24 1.627 -1.719 -21.363 1.00 1.00 C ATOM 366 OH TYR A 24 2.098 -1.794 -22.637 1.00 1.00 O ATOM 0 H TYR A 24 -1.920 -1.288 -18.485 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.699 -3.501 -17.197 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.224 -0.464 -17.144 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.959 -1.654 -16.636 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.520 -3.500 -18.488 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.087 0.358 -19.314 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.394 -3.637 -20.861 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.794 0.211 -21.685 1.00 1.00 H new ATOM 0 HH TYR A 24 1.862 -0.976 -23.122 1.00 1.00 H new ATOM 376 N CYS A 25 -2.162 -1.306 -15.262 1.00 1.00 N ATOM 377 CA CYS A 25 -2.737 -1.146 -13.937 1.00 1.00 C ATOM 378 C CYS A 25 -3.496 -2.426 -13.585 1.00 1.00 C ATOM 379 O CYS A 25 -3.203 -3.068 -12.577 1.00 1.00 O ATOM 380 CB CYS A 25 -3.634 0.090 -13.856 1.00 1.00 C ATOM 381 SG CYS A 25 -4.335 0.423 -12.197 1.00 1.00 S ATOM 0 H CYS A 25 -2.411 -0.573 -15.926 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.942 -0.985 -13.209 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.059 0.960 -14.173 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -4.454 -0.026 -14.565 1.00 1.00 H new ATOM 386 N LEU A 26 -4.457 -2.760 -14.435 1.00 1.00 N ATOM 387 CA LEU A 26 -5.358 -3.863 -14.151 1.00 1.00 C ATOM 388 C LEU A 26 -4.541 -5.134 -13.913 1.00 1.00 C ATOM 389 O LEU A 26 -4.856 -5.923 -13.023 1.00 1.00 O ATOM 390 CB LEU A 26 -6.401 -4.002 -15.260 1.00 1.00 C ATOM 391 CG LEU A 26 -7.858 -4.102 -14.802 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.816 -3.968 -15.987 1.00 1.00 C ATOM 393 CD2 LEU A 26 -8.097 -5.393 -14.015 1.00 1.00 C ATOM 0 H LEU A 26 -4.631 -2.285 -15.321 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.921 -3.669 -13.238 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.309 -3.145 -15.928 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -6.163 -4.890 -15.846 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.062 -3.270 -14.128 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.844 -4.043 -15.634 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.667 -3.001 -16.468 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.620 -4.764 -16.705 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -9.140 -5.440 -13.701 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.869 -6.252 -14.647 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.452 -5.408 -13.136 1.00 1.00 H new ATOM 405 N ARG A 27 -3.505 -5.295 -14.724 1.00 1.00 N ATOM 406 CA ARG A 27 -2.665 -6.478 -14.641 1.00 1.00 C ATOM 407 C ARG A 27 -1.921 -6.508 -13.305 1.00 1.00 C ATOM 408 O ARG A 27 -2.063 -7.455 -12.533 1.00 1.00 O ATOM 409 CB ARG A 27 -1.649 -6.513 -15.784 1.00 1.00 C ATOM 410 CG ARG A 27 -1.823 -7.774 -16.634 1.00 1.00 C ATOM 411 CD ARG A 27 -0.556 -8.073 -17.437 1.00 1.00 C ATOM 412 NE ARG A 27 0.467 -8.684 -16.559 1.00 1.00 N ATOM 413 CZ ARG A 27 1.348 -7.985 -15.831 1.00 1.00 C ATOM 414 NH1 ARG A 27 1.831 -6.825 -16.295 1.00 1.00 N ATOM 415 NH2 ARG A 27 1.746 -8.446 -14.636 1.00 1.00 N ATOM 0 H ARG A 27 -3.228 -4.625 -15.442 1.00 1.00 H new ATOM 0 HA ARG A 27 -3.313 -7.351 -14.719 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.770 -5.629 -16.410 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.638 -6.480 -15.378 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -2.058 -8.621 -15.990 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.666 -7.646 -17.313 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -0.789 -8.747 -18.262 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -0.168 -7.154 -17.876 1.00 1.00 H new ATOM 0 HE ARG A 27 0.504 -9.702 -16.505 1.00 1.00 H new ATOM 0 HH11 ARG A 27 1.528 -6.473 -17.203 1.00 1.00 H new ATOM 0 HH12 ARG A 27 2.502 -6.293 -15.740 1.00 1.00 H new ATOM 0 HH21 ARG A 27 1.378 -9.329 -14.282 1.00 1.00 H new ATOM 0 HH22 ARG A 27 2.417 -7.914 -14.082 1.00 1.00 H new ATOM 429 N GLU A 28 -1.144 -5.460 -13.073 1.00 1.00 N ATOM 430 CA GLU A 28 -0.292 -5.406 -11.897 1.00 1.00 C ATOM 431 C GLU A 28 -1.129 -5.568 -10.627 1.00 1.00 C ATOM 432 O GLU A 28 -0.713 -6.244 -9.687 1.00 1.00 O ATOM 433 CB GLU A 28 0.511 -4.105 -11.863 1.00 1.00 C ATOM 434 CG GLU A 28 1.972 -4.351 -12.246 1.00 1.00 C ATOM 435 CD GLU A 28 2.078 -4.925 -13.661 1.00 1.00 C ATOM 436 OE1 GLU A 28 1.722 -4.183 -14.603 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.509 -6.093 -13.768 1.00 1.00 O ATOM 0 H GLU A 28 -1.087 -4.642 -13.679 1.00 1.00 H new ATOM 0 HA GLU A 28 0.418 -6.232 -11.947 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.068 -3.383 -12.549 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.462 -3.669 -10.865 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.530 -3.417 -12.186 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.427 -5.040 -11.535 1.00 1.00 H new ATOM 444 N CYS A 29 -2.293 -4.937 -10.640 1.00 1.00 N ATOM 445 CA CYS A 29 -3.193 -5.004 -9.500 1.00 1.00 C ATOM 446 C CYS A 29 -3.525 -6.474 -9.235 1.00 1.00 C ATOM 447 O CYS A 29 -3.467 -6.931 -8.095 1.00 1.00 O ATOM 448 CB CYS A 29 -4.453 -4.166 -9.725 1.00 1.00 C ATOM 449 SG CYS A 29 -5.308 -3.640 -8.195 1.00 1.00 S ATOM 0 H CYS A 29 -2.635 -4.377 -11.421 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.705 -4.579 -8.623 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.185 -3.278 -10.298 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.150 -4.740 -10.335 1.00 1.00 H new ATOM 454 N LYS A 30 -3.864 -7.173 -10.309 1.00 1.00 N ATOM 455 CA LYS A 30 -4.332 -8.544 -10.191 1.00 1.00 C ATOM 456 C LYS A 30 -3.154 -9.451 -9.831 1.00 1.00 C ATOM 457 O LYS A 30 -3.315 -10.416 -9.084 1.00 1.00 O ATOM 458 CB LYS A 30 -5.069 -8.969 -11.463 1.00 1.00 C ATOM 459 CG LYS A 30 -6.386 -9.669 -11.125 1.00 1.00 C ATOM 460 CD LYS A 30 -7.219 -9.909 -12.386 1.00 1.00 C ATOM 461 CE LYS A 30 -8.045 -8.670 -12.742 1.00 1.00 C ATOM 462 NZ LYS A 30 -9.220 -8.557 -11.850 1.00 1.00 N ATOM 0 H LYS A 30 -3.824 -6.816 -11.264 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.060 -8.631 -9.384 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.266 -8.094 -12.083 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.437 -9.638 -12.048 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.181 -10.620 -10.634 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.954 -9.062 -10.420 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.562 -10.163 -13.217 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -7.882 -10.760 -12.232 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.427 -7.776 -12.654 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -8.373 -8.730 -13.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.905 -7.890 -12.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -9.666 -9.490 -11.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.916 -8.211 -10.918 1.00 1.00 H new ATOM 476 N GLN A 31 -1.996 -9.109 -10.377 1.00 1.00 N ATOM 477 CA GLN A 31 -0.839 -9.983 -10.285 1.00 1.00 C ATOM 478 C GLN A 31 0.188 -9.402 -9.309 1.00 1.00 C ATOM 479 O GLN A 31 1.393 -9.525 -9.526 1.00 1.00 O ATOM 480 CB GLN A 31 -0.217 -10.215 -11.662 1.00 1.00 C ATOM 481 CG GLN A 31 -0.211 -11.703 -12.018 1.00 1.00 C ATOM 482 CD GLN A 31 0.380 -11.932 -13.411 1.00 1.00 C ATOM 483 OE1 GLN A 31 0.688 -11.005 -14.142 1.00 1.00 O ATOM 484 NE2 GLN A 31 0.522 -13.215 -13.734 1.00 1.00 N ATOM 0 H GLN A 31 -1.834 -8.239 -10.884 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.167 -10.950 -9.904 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -0.776 -9.660 -12.415 1.00 1.00 H new ATOM 0 HB3 GLN A 31 0.803 -9.831 -11.674 1.00 1.00 H new ATOM 0 HG2 GLN A 31 0.368 -12.255 -11.278 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -1.228 -12.093 -11.982 1.00 1.00 H new ATOM 0 HE21 GLN A 31 0.243 -13.941 -13.074 1.00 1.00 H new ATOM 0 HE22 GLN A 31 0.909 -13.473 -14.642 1.00 1.00 H new ATOM 493 N GLN A 32 -0.327 -8.784 -8.257 1.00 1.00 N ATOM 494 CA GLN A 32 0.515 -8.368 -7.148 1.00 1.00 C ATOM 495 C GLN A 32 -0.340 -8.084 -5.910 1.00 1.00 C ATOM 496 O GLN A 32 0.081 -8.353 -4.786 1.00 1.00 O ATOM 497 CB GLN A 32 1.355 -7.147 -7.525 1.00 1.00 C ATOM 498 CG GLN A 32 0.744 -5.864 -6.960 1.00 1.00 C ATOM 499 CD GLN A 32 1.101 -5.690 -5.483 1.00 1.00 C ATOM 500 OE1 GLN A 32 1.943 -6.383 -4.935 1.00 1.00 O ATOM 501 NE2 GLN A 32 0.416 -4.729 -4.870 1.00 1.00 N ATOM 0 H GLN A 32 -1.316 -8.561 -8.149 1.00 1.00 H new ATOM 0 HA GLN A 32 1.201 -9.182 -6.913 1.00 1.00 H new ATOM 0 HB2 GLN A 32 2.370 -7.268 -7.146 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.427 -7.072 -8.610 1.00 1.00 H new ATOM 0 HG2 GLN A 32 1.103 -5.006 -7.528 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.340 -5.892 -7.075 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.275 -4.186 -5.387 1.00 1.00 H new ATOM 0 HE22 GLN A 32 0.582 -4.535 -3.882 1.00 1.00 H new ATOM 510 N TYR A 33 -1.524 -7.543 -6.160 1.00 1.00 N ATOM 511 CA TYR A 33 -2.484 -7.321 -5.092 1.00 1.00 C ATOM 512 C TYR A 33 -3.662 -8.292 -5.204 1.00 1.00 C ATOM 513 O TYR A 33 -4.765 -7.989 -4.752 1.00 1.00 O ATOM 514 CB TYR A 33 -2.998 -5.892 -5.277 1.00 1.00 C ATOM 515 CG TYR A 33 -2.795 -4.995 -4.055 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.930 -5.519 -2.785 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.479 -3.662 -4.222 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.740 -4.675 -1.635 1.00 1.00 C ATOM 519 CE2 TYR A 33 -2.289 -2.818 -3.070 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.429 -3.366 -1.834 1.00 1.00 C ATOM 521 OH TYR A 33 -2.250 -2.569 -0.746 1.00 1.00 O ATOM 0 H TYR A 33 -1.840 -7.252 -7.085 1.00 1.00 H new ATOM 0 HA TYR A 33 -2.018 -7.475 -4.119 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.493 -5.443 -6.132 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.061 -5.927 -5.517 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.178 -6.562 -2.655 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.374 -3.252 -5.216 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -2.842 -5.072 -0.636 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -2.041 -1.773 -3.186 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.063 -1.653 -1.039 1.00 1.00 H new ATOM 531 N GLY A 34 -3.388 -9.438 -5.809 1.00 1.00 N ATOM 532 CA GLY A 34 -4.243 -10.599 -5.634 1.00 1.00 C ATOM 533 C GLY A 34 -5.036 -10.894 -6.909 1.00 1.00 C ATOM 534 O GLY A 34 -5.467 -9.973 -7.603 1.00 1.00 O ATOM 0 H GLY A 34 -2.586 -9.587 -6.421 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -3.636 -11.465 -5.370 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -4.930 -10.427 -4.806 1.00 1.00 H new ATOM 538 N LYS A 35 -5.204 -12.180 -7.180 1.00 1.00 N ATOM 539 CA LYS A 35 -5.863 -12.607 -8.403 1.00 1.00 C ATOM 540 C LYS A 35 -7.366 -12.342 -8.286 1.00 1.00 C ATOM 541 O LYS A 35 -8.164 -13.277 -8.248 1.00 1.00 O ATOM 542 CB LYS A 35 -5.519 -14.064 -8.715 1.00 1.00 C ATOM 543 CG LYS A 35 -4.024 -14.226 -8.997 1.00 1.00 C ATOM 544 CD LYS A 35 -3.716 -15.624 -9.538 1.00 1.00 C ATOM 545 CE LYS A 35 -3.875 -16.682 -8.445 1.00 1.00 C ATOM 546 NZ LYS A 35 -3.390 -17.997 -8.923 1.00 1.00 N ATOM 0 H LYS A 35 -4.895 -12.940 -6.574 1.00 1.00 H new ATOM 0 HA LYS A 35 -5.502 -12.028 -9.253 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -5.805 -14.697 -7.875 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -6.094 -14.400 -9.578 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -3.703 -13.474 -9.718 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -3.457 -14.053 -8.082 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -4.384 -15.851 -10.369 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -2.699 -15.650 -9.930 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -3.318 -16.383 -7.557 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -4.923 -16.758 -8.154 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -3.505 -18.704 -8.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.939 -18.287 -9.757 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -2.385 -17.924 -9.179 1.00 1.00 H new ATOM 560 N GLY A 36 -7.707 -11.062 -8.233 1.00 1.00 N ATOM 561 CA GLY A 36 -9.102 -10.661 -8.184 1.00 1.00 C ATOM 562 C GLY A 36 -9.252 -9.166 -8.477 1.00 1.00 C ATOM 563 O GLY A 36 -10.041 -8.776 -9.336 1.00 1.00 O ATOM 0 H GLY A 36 -7.041 -10.290 -8.223 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.676 -11.237 -8.910 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -9.515 -10.886 -7.201 1.00 1.00 H new ATOM 567 N ALA A 37 -8.484 -8.373 -7.746 1.00 1.00 N ATOM 568 CA ALA A 37 -8.769 -6.951 -7.633 1.00 1.00 C ATOM 569 C ALA A 37 -8.563 -6.285 -8.995 1.00 1.00 C ATOM 570 O ALA A 37 -8.119 -6.929 -9.945 1.00 1.00 O ATOM 571 CB ALA A 37 -7.888 -6.338 -6.544 1.00 1.00 C ATOM 0 H ALA A 37 -7.665 -8.687 -7.226 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.806 -6.789 -7.341 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -8.102 -5.273 -6.460 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -8.094 -6.826 -5.591 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.839 -6.478 -6.803 1.00 1.00 H new ATOM 577 N GLY A 38 -8.895 -5.004 -9.046 1.00 1.00 N ATOM 578 CA GLY A 38 -8.705 -4.230 -10.262 1.00 1.00 C ATOM 579 C GLY A 38 -8.412 -2.764 -9.938 1.00 1.00 C ATOM 580 O GLY A 38 -8.161 -2.417 -8.785 1.00 1.00 O ATOM 0 H GLY A 38 -9.294 -4.482 -8.266 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -7.882 -4.650 -10.840 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -9.598 -4.297 -10.884 1.00 1.00 H new ATOM 584 N GLY A 39 -8.453 -1.942 -10.976 1.00 1.00 N ATOM 585 CA GLY A 39 -7.833 -0.629 -10.917 1.00 1.00 C ATOM 586 C GLY A 39 -7.879 0.061 -12.282 1.00 1.00 C ATOM 587 O GLY A 39 -8.384 -0.504 -13.251 1.00 1.00 O ATOM 0 H GLY A 39 -8.906 -2.160 -11.863 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.345 -0.014 -10.177 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.798 -0.726 -10.589 1.00 1.00 H new ATOM 591 N TYR A 40 -7.342 1.272 -12.315 1.00 1.00 N ATOM 592 CA TYR A 40 -7.147 1.970 -13.574 1.00 1.00 C ATOM 593 C TYR A 40 -6.060 3.038 -13.446 1.00 1.00 C ATOM 594 O TYR A 40 -5.655 3.388 -12.339 1.00 1.00 O ATOM 595 CB TYR A 40 -8.481 2.651 -13.890 1.00 1.00 C ATOM 596 CG TYR A 40 -9.283 3.052 -12.651 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.848 4.093 -11.855 1.00 1.00 C ATOM 598 CD2 TYR A 40 -10.441 2.374 -12.329 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.604 4.471 -10.689 1.00 1.00 C ATOM 600 CE2 TYR A 40 -11.196 2.752 -11.163 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.740 3.782 -10.400 1.00 1.00 C ATOM 602 OH TYR A 40 -11.454 4.139 -9.299 1.00 1.00 O ATOM 0 H TYR A 40 -7.036 1.787 -11.490 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.838 1.275 -14.354 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -8.290 3.541 -14.490 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -9.085 1.979 -14.499 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.941 4.623 -12.107 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.781 1.560 -12.952 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -9.276 5.284 -10.058 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -12.104 2.230 -10.900 1.00 1.00 H new ATOM 0 HH TYR A 40 -12.241 3.561 -9.218 1.00 1.00 H new ATOM 612 N CYS A 41 -5.619 3.530 -14.595 1.00 1.00 N ATOM 613 CA CYS A 41 -4.527 4.488 -14.630 1.00 1.00 C ATOM 614 C CYS A 41 -5.114 5.891 -14.473 1.00 1.00 C ATOM 615 O CYS A 41 -5.690 6.437 -15.414 1.00 1.00 O ATOM 616 CB CYS A 41 -3.699 4.355 -15.910 1.00 1.00 C ATOM 617 SG CYS A 41 -2.781 2.781 -16.071 1.00 1.00 S ATOM 0 H CYS A 41 -5.999 3.283 -15.509 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.839 4.290 -13.808 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.363 4.461 -16.768 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.988 5.180 -15.953 1.00 1.00 H new ATOM 622 N TYR A 42 -4.949 6.438 -13.277 1.00 1.00 N ATOM 623 CA TYR A 42 -5.093 7.870 -13.081 1.00 1.00 C ATOM 624 C TYR A 42 -3.796 8.604 -13.428 1.00 1.00 C ATOM 625 O TYR A 42 -2.854 7.999 -13.936 1.00 1.00 O ATOM 626 CB TYR A 42 -5.393 8.065 -11.594 1.00 1.00 C ATOM 627 CG TYR A 42 -6.821 8.530 -11.303 1.00 1.00 C ATOM 628 CD1 TYR A 42 -7.334 9.634 -11.953 1.00 1.00 C ATOM 629 CD2 TYR A 42 -7.598 7.846 -10.390 1.00 1.00 C ATOM 630 CE1 TYR A 42 -8.677 10.071 -11.680 1.00 1.00 C ATOM 631 CE2 TYR A 42 -8.942 8.283 -10.116 1.00 1.00 C ATOM 632 CZ TYR A 42 -9.415 9.375 -10.775 1.00 1.00 C ATOM 633 OH TYR A 42 -10.685 9.789 -10.516 1.00 1.00 O ATOM 0 H TYR A 42 -4.717 5.914 -12.433 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.880 8.267 -13.721 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -5.214 7.125 -11.072 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -4.694 8.795 -11.185 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.727 10.170 -12.667 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -7.197 6.982 -9.881 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -9.090 10.933 -12.183 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -9.560 7.756 -9.404 1.00 1.00 H new ATOM 0 HH TYR A 42 -11.093 9.197 -9.850 1.00 1.00 H new ATOM 643 N ALA A 43 -3.789 9.896 -13.138 1.00 1.00 N ATOM 644 CA ALA A 43 -2.687 10.750 -13.549 1.00 1.00 C ATOM 645 C ALA A 43 -1.370 10.147 -13.055 1.00 1.00 C ATOM 646 O ALA A 43 -0.923 10.444 -11.948 1.00 1.00 O ATOM 647 CB ALA A 43 -2.914 12.167 -13.019 1.00 1.00 C ATOM 0 H ALA A 43 -4.529 10.373 -12.623 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.634 10.813 -14.636 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -2.088 12.807 -13.327 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.848 12.561 -13.421 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.969 12.144 -11.931 1.00 1.00 H new ATOM 653 N PHE A 44 -0.786 9.311 -13.900 1.00 1.00 N ATOM 654 CA PHE A 44 0.527 8.755 -13.617 1.00 1.00 C ATOM 655 C PHE A 44 0.551 8.077 -12.245 1.00 1.00 C ATOM 656 O PHE A 44 1.523 8.205 -11.503 1.00 1.00 O ATOM 657 CB PHE A 44 1.514 9.924 -13.612 1.00 1.00 C ATOM 658 CG PHE A 44 1.359 10.875 -14.801 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.569 10.423 -16.066 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.011 12.173 -14.593 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.425 11.305 -17.170 1.00 1.00 C ATOM 662 CE2 PHE A 44 0.867 13.055 -15.696 1.00 1.00 C ATOM 663 CZ PHE A 44 1.077 12.603 -16.961 1.00 1.00 C ATOM 0 H PHE A 44 -1.198 9.005 -14.782 1.00 1.00 H new ATOM 0 HA PHE A 44 0.785 8.007 -14.367 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.387 10.489 -12.689 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.530 9.528 -13.606 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.846 9.392 -16.232 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.844 12.533 -13.589 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.592 10.945 -18.175 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.590 14.086 -15.530 1.00 1.00 H new ATOM 0 HZ PHE A 44 0.967 13.275 -17.800 1.00 1.00 H new ATOM 673 N ALA A 45 -0.531 7.372 -11.951 1.00 1.00 N ATOM 674 CA ALA A 45 -0.542 6.457 -10.823 1.00 1.00 C ATOM 675 C ALA A 45 -1.713 5.483 -10.973 1.00 1.00 C ATOM 676 O ALA A 45 -2.823 5.889 -11.315 1.00 1.00 O ATOM 677 CB ALA A 45 -0.611 7.254 -9.519 1.00 1.00 C ATOM 0 H ALA A 45 -1.406 7.416 -12.474 1.00 1.00 H new ATOM 0 HA ALA A 45 0.375 5.869 -10.798 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -0.619 6.567 -8.673 1.00 1.00 H new ATOM 0 HB2 ALA A 45 0.257 7.909 -9.446 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -1.520 7.855 -9.507 1.00 1.00 H new ATOM 683 N CYS A 46 -1.425 4.216 -10.711 1.00 1.00 N ATOM 684 CA CYS A 46 -2.428 3.176 -10.858 1.00 1.00 C ATOM 685 C CYS A 46 -3.246 3.109 -9.567 1.00 1.00 C ATOM 686 O CYS A 46 -2.742 2.679 -8.530 1.00 1.00 O ATOM 687 CB CYS A 46 -1.796 1.825 -11.203 1.00 1.00 C ATOM 688 SG CYS A 46 -2.868 0.375 -10.896 1.00 1.00 S ATOM 0 H CYS A 46 -0.512 3.887 -10.398 1.00 1.00 H new ATOM 0 HA CYS A 46 -3.087 3.419 -11.692 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.510 1.832 -12.255 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -0.879 1.710 -10.624 1.00 1.00 H new ATOM 693 N TRP A 47 -4.493 3.542 -9.671 1.00 1.00 N ATOM 694 CA TRP A 47 -5.417 3.441 -8.553 1.00 1.00 C ATOM 695 C TRP A 47 -6.062 2.054 -8.598 1.00 1.00 C ATOM 696 O TRP A 47 -6.685 1.687 -9.593 1.00 1.00 O ATOM 697 CB TRP A 47 -6.441 4.577 -8.582 1.00 1.00 C ATOM 698 CG TRP A 47 -7.471 4.515 -7.453 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.351 3.539 -7.193 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.694 5.514 -6.437 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.123 3.836 -6.087 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.710 5.075 -5.613 1.00 1.00 C ATOM 703 CE3 TRP A 47 -7.058 6.750 -6.220 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -9.181 5.809 -4.517 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -7.540 7.471 -5.121 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.562 7.042 -4.282 1.00 1.00 C ATOM 0 H TRP A 47 -4.886 3.964 -10.512 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.889 3.550 -7.606 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.914 5.529 -8.527 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.964 4.557 -9.538 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.445 2.634 -7.775 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.860 3.253 -5.691 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -6.261 7.114 -6.851 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.979 5.443 -3.887 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -7.086 8.428 -4.910 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.877 7.658 -3.452 1.00 1.00 H new ATOM 717 N CYS A 48 -5.890 1.321 -7.508 1.00 1.00 N ATOM 718 CA CYS A 48 -6.546 0.032 -7.361 1.00 1.00 C ATOM 719 C CYS A 48 -7.790 0.223 -6.492 1.00 1.00 C ATOM 720 O CYS A 48 -7.755 0.955 -5.504 1.00 1.00 O ATOM 721 CB CYS A 48 -5.600 -1.021 -6.781 1.00 1.00 C ATOM 722 SG CYS A 48 -4.440 -1.759 -7.988 1.00 1.00 S ATOM 0 H CYS A 48 -5.306 1.595 -6.718 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.843 -0.342 -8.341 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.023 -0.567 -5.975 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.195 -1.818 -6.336 1.00 1.00 H new ATOM 727 N THR A 49 -8.860 -0.449 -6.891 1.00 1.00 N ATOM 728 CA THR A 49 -10.179 -0.134 -6.369 1.00 1.00 C ATOM 729 C THR A 49 -11.007 -1.410 -6.204 1.00 1.00 C ATOM 730 O THR A 49 -12.171 -1.454 -6.595 1.00 1.00 O ATOM 731 CB THR A 49 -10.825 0.892 -7.302 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.173 0.973 -6.851 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.943 0.382 -8.740 1.00 1.00 C ATOM 0 H THR A 49 -8.840 -1.210 -7.570 1.00 1.00 H new ATOM 0 HA THR A 49 -10.115 0.305 -5.374 1.00 1.00 H new ATOM 0 HB THR A 49 -10.241 1.812 -7.289 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.636 0.132 -7.051 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.408 1.148 -9.361 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.950 0.154 -9.128 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.555 -0.520 -8.757 1.00 1.00 H new ATOM 741 N HIS A 50 -10.372 -2.417 -5.623 1.00 1.00 N ATOM 742 CA HIS A 50 -11.101 -3.555 -5.090 1.00 1.00 C ATOM 743 C HIS A 50 -10.207 -4.332 -4.124 1.00 1.00 C ATOM 744 O HIS A 50 -9.912 -5.505 -4.350 1.00 1.00 O ATOM 745 CB HIS A 50 -11.650 -4.427 -6.222 1.00 1.00 C ATOM 746 CG HIS A 50 -12.616 -5.494 -5.763 1.00 1.00 C ATOM 747 ND1 HIS A 50 -13.937 -5.225 -5.455 1.00 1.00 N ATOM 748 CD2 HIS A 50 -12.437 -6.831 -5.565 1.00 1.00 C ATOM 749 CE1 HIS A 50 -14.519 -6.357 -5.088 1.00 1.00 C ATOM 750 NE2 HIS A 50 -13.588 -7.351 -5.156 1.00 1.00 N ATOM 0 H HIS A 50 -9.360 -2.468 -5.510 1.00 1.00 H new ATOM 0 HA HIS A 50 -11.966 -3.205 -4.526 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -12.150 -3.788 -6.950 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -10.816 -4.904 -6.737 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -11.516 -7.374 -5.715 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -15.550 -6.472 -4.788 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -13.749 -8.332 -4.930 1.00 1.00 H new ATOM 758 N LEU A 51 -9.799 -3.648 -3.065 1.00 1.00 N ATOM 759 CA LEU A 51 -8.781 -4.182 -2.175 1.00 1.00 C ATOM 760 C LEU A 51 -9.429 -4.580 -0.847 1.00 1.00 C ATOM 761 O LEU A 51 -10.616 -4.336 -0.634 1.00 1.00 O ATOM 762 CB LEU A 51 -7.628 -3.188 -2.023 1.00 1.00 C ATOM 763 CG LEU A 51 -6.977 -2.711 -3.323 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.236 -1.389 -3.113 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.067 -3.791 -3.909 1.00 1.00 C ATOM 0 H LEU A 51 -10.155 -2.729 -2.803 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.340 -5.084 -2.598 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -7.996 -2.316 -1.483 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.859 -3.647 -1.402 1.00 1.00 H new ATOM 0 HG LEU A 51 -7.766 -2.525 -4.051 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.783 -1.073 -4.052 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.939 -0.628 -2.775 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.458 -1.523 -2.362 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.617 -3.426 -4.832 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.281 -4.032 -3.193 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.653 -4.686 -4.120 1.00 1.00 H new ATOM 777 N TYR A 52 -8.621 -5.186 0.009 1.00 1.00 N ATOM 778 CA TYR A 52 -9.087 -5.576 1.330 1.00 1.00 C ATOM 779 C TYR A 52 -8.502 -4.663 2.408 1.00 1.00 C ATOM 780 O TYR A 52 -7.809 -3.694 2.099 1.00 1.00 O ATOM 781 CB TYR A 52 -8.577 -7.000 1.553 1.00 1.00 C ATOM 782 CG TYR A 52 -7.474 -7.427 0.581 1.00 1.00 C ATOM 783 CD1 TYR A 52 -7.804 -8.022 -0.619 1.00 1.00 C ATOM 784 CD2 TYR A 52 -6.150 -7.216 0.906 1.00 1.00 C ATOM 785 CE1 TYR A 52 -6.767 -8.423 -1.533 1.00 1.00 C ATOM 786 CE2 TYR A 52 -5.112 -7.618 -0.009 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.472 -8.200 -1.183 1.00 1.00 C ATOM 788 OH TYR A 52 -4.492 -8.580 -2.047 1.00 1.00 O ATOM 0 H TYR A 52 -7.647 -5.417 -0.185 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.173 -5.507 1.390 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.201 -7.085 2.573 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.414 -7.693 1.463 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -8.841 -8.187 -0.873 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -5.892 -6.750 1.845 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -7.012 -8.890 -2.475 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -4.071 -7.460 0.233 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.739 -8.318 -2.958 1.00 1.00 H new ATOM 798 N GLU A 53 -8.803 -5.002 3.653 1.00 1.00 N ATOM 799 CA GLU A 53 -8.409 -4.166 4.774 1.00 1.00 C ATOM 800 C GLU A 53 -6.895 -3.949 4.767 1.00 1.00 C ATOM 801 O GLU A 53 -6.396 -3.007 5.383 1.00 1.00 O ATOM 802 CB GLU A 53 -8.869 -4.773 6.101 1.00 1.00 C ATOM 803 CG GLU A 53 -8.098 -6.057 6.412 1.00 1.00 C ATOM 804 CD GLU A 53 -8.739 -6.811 7.580 1.00 1.00 C ATOM 805 OE1 GLU A 53 -9.759 -7.488 7.327 1.00 1.00 O ATOM 806 OE2 GLU A 53 -8.194 -6.693 8.699 1.00 1.00 O ATOM 0 H GLU A 53 -9.316 -5.845 3.910 1.00 1.00 H new ATOM 0 HA GLU A 53 -8.897 -3.197 4.668 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -8.722 -4.052 6.905 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -9.937 -4.987 6.056 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -8.077 -6.696 5.529 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -7.063 -5.815 6.655 1.00 1.00 H new ATOM 813 N GLN A 54 -6.205 -4.834 4.063 1.00 1.00 N ATOM 814 CA GLN A 54 -4.765 -4.713 3.912 1.00 1.00 C ATOM 815 C GLN A 54 -4.427 -3.966 2.620 1.00 1.00 C ATOM 816 O GLN A 54 -3.402 -4.233 1.995 1.00 1.00 O ATOM 817 CB GLN A 54 -4.093 -6.087 3.943 1.00 1.00 C ATOM 818 CG GLN A 54 -3.054 -6.165 5.063 1.00 1.00 C ATOM 819 CD GLN A 54 -1.839 -5.290 4.745 1.00 1.00 C ATOM 820 OE1 GLN A 54 -1.052 -5.574 3.857 1.00 1.00 O ATOM 821 NE2 GLN A 54 -1.731 -4.212 5.517 1.00 1.00 N ATOM 0 H GLN A 54 -6.617 -5.639 3.590 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.379 -4.137 4.753 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -4.847 -6.861 4.087 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.614 -6.283 2.984 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.502 -5.843 6.003 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.737 -7.199 5.198 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -2.425 -4.033 6.243 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -0.954 -3.565 5.383 1.00 1.00 H new ATOM 830 N ALA A 55 -5.309 -3.046 2.257 1.00 1.00 N ATOM 831 CA ALA A 55 -4.994 -2.074 1.225 1.00 1.00 C ATOM 832 C ALA A 55 -4.127 -0.964 1.823 1.00 1.00 C ATOM 833 O ALA A 55 -4.632 -0.078 2.510 1.00 1.00 O ATOM 834 CB ALA A 55 -6.292 -1.536 0.618 1.00 1.00 C ATOM 0 H ALA A 55 -6.242 -2.954 2.660 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.425 -2.539 0.420 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -6.056 -0.806 -0.157 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -6.858 -2.359 0.181 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.887 -1.059 1.397 1.00 1.00 H new ATOM 840 N ILE A 56 -2.836 -1.049 1.539 1.00 1.00 N ATOM 841 CA ILE A 56 -1.952 0.089 1.729 1.00 1.00 C ATOM 842 C ILE A 56 -1.754 0.805 0.392 1.00 1.00 C ATOM 843 O ILE A 56 -1.743 0.169 -0.661 1.00 1.00 O ATOM 844 CB ILE A 56 -0.644 -0.354 2.389 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.914 -1.294 3.565 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.198 0.855 2.802 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.736 -0.594 4.649 1.00 1.00 C ATOM 0 H ILE A 56 -2.381 -1.888 1.179 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.400 0.810 2.413 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.064 -0.915 1.656 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.446 -2.178 3.214 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.031 -1.637 3.985 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.122 0.513 3.268 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.436 1.451 1.921 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.363 1.464 3.511 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.914 -1.284 5.473 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -1.190 0.275 5.015 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.691 -0.274 4.232 1.00 1.00 H new ATOM 859 N VAL A 57 -1.602 2.118 0.477 1.00 1.00 N ATOM 860 CA VAL A 57 -1.528 2.942 -0.717 1.00 1.00 C ATOM 861 C VAL A 57 -0.357 3.918 -0.587 1.00 1.00 C ATOM 862 O VAL A 57 -0.138 4.491 0.481 1.00 1.00 O ATOM 863 CB VAL A 57 -2.867 3.643 -0.954 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.706 3.669 0.326 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.658 5.056 -1.502 1.00 1.00 C ATOM 0 H VAL A 57 -1.528 2.632 1.355 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.340 2.324 -1.595 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.416 3.072 -1.703 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.653 4.173 0.130 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.899 2.648 0.655 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.164 4.205 1.105 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.626 5.531 -1.661 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -2.079 5.641 -0.787 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.120 5.003 -2.448 1.00 1.00 H new ATOM 875 N TRP A 58 0.362 4.081 -1.687 1.00 1.00 N ATOM 876 CA TRP A 58 1.746 4.520 -1.618 1.00 1.00 C ATOM 877 C TRP A 58 1.771 5.899 -0.956 1.00 1.00 C ATOM 878 O TRP A 58 0.807 6.656 -1.053 1.00 1.00 O ATOM 879 CB TRP A 58 2.394 4.510 -3.004 1.00 1.00 C ATOM 880 CG TRP A 58 3.814 5.078 -3.031 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.972 4.406 -2.966 1.00 1.00 C ATOM 882 CD2 TRP A 58 4.183 6.469 -3.133 1.00 1.00 C ATOM 883 NE1 TRP A 58 6.055 5.259 -3.019 1.00 1.00 N ATOM 884 CE2 TRP A 58 5.561 6.554 -3.124 1.00 1.00 C ATOM 885 CE3 TRP A 58 3.379 7.619 -3.230 1.00 1.00 C ATOM 886 CZ2 TRP A 58 6.254 7.767 -3.208 1.00 1.00 C ATOM 887 CZ3 TRP A 58 4.088 8.823 -3.314 1.00 1.00 C ATOM 888 CH2 TRP A 58 5.474 8.925 -3.305 1.00 1.00 C ATOM 0 H TRP A 58 0.013 3.917 -2.631 1.00 1.00 H new ATOM 0 HA TRP A 58 2.340 3.833 -1.015 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.416 3.486 -3.376 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.771 5.084 -3.689 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.048 3.332 -2.883 1.00 1.00 H new ATOM 0 HE1 TRP A 58 7.038 4.989 -2.987 1.00 1.00 H new ATOM 0 HE3 TRP A 58 2.300 7.576 -3.239 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 7.333 7.807 -3.198 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 3.518 9.737 -3.391 1.00 1.00 H new ATOM 0 HH2 TRP A 58 5.947 9.894 -3.373 1.00 1.00 H new ATOM 899 N PRO A 59 2.915 6.192 -0.280 1.00 1.00 N ATOM 900 CA PRO A 59 3.872 5.151 0.055 1.00 1.00 C ATOM 901 C PRO A 59 3.365 4.293 1.216 1.00 1.00 C ATOM 902 O PRO A 59 2.180 4.329 1.548 1.00 1.00 O ATOM 903 CB PRO A 59 5.158 5.892 0.383 1.00 1.00 C ATOM 904 CG PRO A 59 4.752 7.328 0.670 1.00 1.00 C ATOM 905 CD PRO A 59 3.326 7.515 0.179 1.00 1.00 C ATOM 0 HA PRO A 59 4.030 4.446 -0.761 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.656 5.447 1.245 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.859 5.844 -0.450 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.819 7.538 1.738 1.00 1.00 H new ATOM 0 HG3 PRO A 59 5.424 8.023 0.166 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.677 7.877 0.977 1.00 1.00 H new ATOM 0 HD3 PRO A 59 3.278 8.247 -0.628 1.00 1.00 H new ATOM 913 N LEU A 60 4.285 3.542 1.802 1.00 1.00 N ATOM 914 CA LEU A 60 4.076 3.005 3.136 1.00 1.00 C ATOM 915 C LEU A 60 4.806 3.882 4.154 1.00 1.00 C ATOM 916 O LEU A 60 5.734 4.607 3.802 1.00 1.00 O ATOM 917 CB LEU A 60 4.483 1.531 3.189 1.00 1.00 C ATOM 918 CG LEU A 60 4.422 0.770 1.864 1.00 1.00 C ATOM 919 CD1 LEU A 60 5.813 0.644 1.239 1.00 1.00 C ATOM 920 CD2 LEU A 60 3.751 -0.594 2.044 1.00 1.00 C ATOM 0 H LEU A 60 5.178 3.292 1.377 1.00 1.00 H new ATOM 0 HA LEU A 60 3.018 3.029 3.396 1.00 1.00 H new ATOM 0 HB2 LEU A 60 5.501 1.469 3.574 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.839 1.023 3.907 1.00 1.00 H new ATOM 0 HG LEU A 60 3.807 1.343 1.170 1.00 1.00 H new ATOM 0 HD11 LEU A 60 5.741 0.099 0.298 1.00 1.00 H new ATOM 0 HD12 LEU A 60 6.219 1.638 1.052 1.00 1.00 H new ATOM 0 HD13 LEU A 60 6.471 0.105 1.921 1.00 1.00 H new ATOM 0 HD21 LEU A 60 3.721 -1.114 1.086 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.319 -1.187 2.761 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.735 -0.454 2.413 1.00 1.00 H new ATOM 932 N PRO A 61 4.347 3.784 5.431 1.00 1.00 N ATOM 933 CA PRO A 61 4.780 4.717 6.457 1.00 1.00 C ATOM 934 C PRO A 61 6.208 4.408 6.910 1.00 1.00 C ATOM 935 O PRO A 61 7.058 5.296 6.946 1.00 1.00 O ATOM 936 CB PRO A 61 3.759 4.578 7.574 1.00 1.00 C ATOM 937 CG PRO A 61 3.061 3.248 7.336 1.00 1.00 C ATOM 938 CD PRO A 61 3.405 2.786 5.930 1.00 1.00 C ATOM 0 HA PRO A 61 4.820 5.746 6.100 1.00 1.00 H new ATOM 0 HB2 PRO A 61 4.243 4.596 8.550 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.046 5.402 7.556 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.385 2.510 8.070 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.982 3.357 7.449 1.00 1.00 H new ATOM 0 HD2 PRO A 61 3.850 1.791 5.938 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.516 2.732 5.302 1.00 1.00 H new ATOM 946 N ASN A 62 6.429 3.145 7.246 1.00 1.00 N ATOM 947 CA ASN A 62 7.562 2.778 8.077 1.00 1.00 C ATOM 948 C ASN A 62 8.651 2.157 7.200 1.00 1.00 C ATOM 949 O ASN A 62 9.657 1.665 7.708 1.00 1.00 O ATOM 950 CB ASN A 62 7.161 1.747 9.133 1.00 1.00 C ATOM 951 CG ASN A 62 6.621 0.473 8.478 1.00 1.00 C ATOM 952 OD1 ASN A 62 5.932 0.505 7.472 1.00 1.00 O ATOM 953 ND2 ASN A 62 6.972 -0.647 9.104 1.00 1.00 N ATOM 0 H ASN A 62 5.841 2.363 6.957 1.00 1.00 H new ATOM 0 HA ASN A 62 7.922 3.679 8.573 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.023 1.504 9.754 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.403 2.171 9.791 1.00 1.00 H new ATOM 0 HD21 ASN A 62 6.662 -1.550 8.746 1.00 1.00 H new ATOM 0 HD22 ASN A 62 7.551 -0.603 9.942 1.00 1.00 H new ATOM 960 N LYS A 63 8.414 2.200 5.897 1.00 1.00 N ATOM 961 CA LYS A 63 9.403 1.735 4.940 1.00 1.00 C ATOM 962 C LYS A 63 9.031 2.237 3.543 1.00 1.00 C ATOM 963 O LYS A 63 8.803 1.441 2.634 1.00 1.00 O ATOM 964 CB LYS A 63 9.559 0.216 5.026 1.00 1.00 C ATOM 965 CG LYS A 63 8.207 -0.484 4.871 1.00 1.00 C ATOM 966 CD LYS A 63 8.384 -1.909 4.344 1.00 1.00 C ATOM 967 CE LYS A 63 8.597 -1.911 2.830 1.00 1.00 C ATOM 968 NZ LYS A 63 9.013 -3.254 2.366 1.00 1.00 N ATOM 0 H LYS A 63 7.551 2.550 5.482 1.00 1.00 H new ATOM 0 HA LYS A 63 10.384 2.147 5.176 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.242 -0.128 4.249 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.005 -0.054 5.984 1.00 1.00 H new ATOM 0 HG2 LYS A 63 7.694 -0.509 5.833 1.00 1.00 H new ATOM 0 HG3 LYS A 63 7.576 0.084 4.188 1.00 1.00 H new ATOM 0 HD2 LYS A 63 9.236 -2.379 4.835 1.00 1.00 H new ATOM 0 HD3 LYS A 63 7.505 -2.504 4.592 1.00 1.00 H new ATOM 0 HE2 LYS A 63 7.676 -1.615 2.327 1.00 1.00 H new ATOM 0 HE3 LYS A 63 9.356 -1.176 2.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 9.604 -3.160 1.515 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 9.558 -3.727 3.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 8.170 -3.820 2.141 1.00 1.00 H new ATOM 982 N ARG A 64 8.980 3.555 3.417 1.00 1.00 N ATOM 983 CA ARG A 64 8.845 4.177 2.111 1.00 1.00 C ATOM 984 C ARG A 64 10.074 3.875 1.250 1.00 1.00 C ATOM 985 O ARG A 64 11.094 3.414 1.759 1.00 1.00 O ATOM 986 CB ARG A 64 8.679 5.692 2.237 1.00 1.00 C ATOM 987 CG ARG A 64 9.919 6.330 2.866 1.00 1.00 C ATOM 988 CD ARG A 64 9.893 7.852 2.712 1.00 1.00 C ATOM 989 NE ARG A 64 11.084 8.447 3.357 1.00 1.00 N ATOM 990 CZ ARG A 64 12.258 8.636 2.739 1.00 1.00 C ATOM 991 NH1 ARG A 64 12.474 8.095 1.532 1.00 1.00 N ATOM 992 NH2 ARG A 64 13.215 9.366 3.328 1.00 1.00 N ATOM 0 H ARG A 64 9.030 4.209 4.198 1.00 1.00 H new ATOM 0 HA ARG A 64 7.954 3.764 1.637 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.503 6.125 1.252 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.803 5.916 2.845 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.970 6.069 3.923 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.817 5.929 2.395 1.00 1.00 H new ATOM 0 HD2 ARG A 64 9.871 8.118 1.655 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.986 8.256 3.162 1.00 1.00 H new ATOM 0 HE ARG A 64 11.007 8.731 4.334 1.00 1.00 H new ATOM 0 HH11 ARG A 64 11.745 7.540 1.084 1.00 1.00 H new ATOM 0 HH12 ARG A 64 13.367 8.239 1.061 1.00 1.00 H new ATOM 0 HH21 ARG A 64 13.050 9.778 4.247 1.00 1.00 H new ATOM 0 HH22 ARG A 64 14.109 9.510 2.858 1.00 1.00 H new ATOM 1006 N CYS A 65 9.935 4.148 -0.039 1.00 1.00 N ATOM 1007 CA CYS A 65 11.051 4.005 -0.959 1.00 1.00 C ATOM 1008 C CYS A 65 12.157 4.968 -0.526 1.00 1.00 C ATOM 1009 O CYS A 65 11.877 6.070 -0.056 1.00 1.00 O ATOM 1010 CB CYS A 65 10.623 4.242 -2.409 1.00 1.00 C ATOM 1011 SG CYS A 65 11.576 3.299 -3.655 1.00 1.00 S ATOM 0 H CYS A 65 9.067 4.467 -0.468 1.00 1.00 H new ATOM 0 HA CYS A 65 11.426 2.982 -0.923 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.568 3.985 -2.508 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.714 5.305 -2.631 1.00 1.00 H new