USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 37 SER OG : rot -99:sc= 1.27 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 71 SER OG : rot -120:sc= 0.337 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 178:sc= 0.582 (180deg=0) USER MOD Set 3.1: A 70 THR OG1 : rot -21:sc= 1.76 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -175:sc= 0.608 (180deg=-0.0402) USER MOD Set 4.1: A 45 SER OG : rot 74:sc= 1.63 USER MOD Set 4.2: A 58 THR OG1 : rot 67:sc= 1.17 USER MOD Set 5.1: A 42 HIS : no HD1:sc= -0.571 K(o=-0.61,f=-8.7!) USER MOD Set 5.2: A 56 HIS :FLIP no HD1:sc= -0.0371 F(o=-1.7,f=-0.61) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0382) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 12 GLN : amide:sc= 3.23 K(o=3.2,f=-14!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -77:sc= 0.812 USER MOD Single : A 22 SER OG : rot 75:sc= 0.0723 USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= 1.13 (180deg=0.273) USER MOD Single : A 27 SER OG : rot -35:sc= 0.728 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.501 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 46 HIS : no HD1:sc= 0.0141 K(o=0.014,f=-6.2!) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.06 (180deg=0.731) USER MOD Single : A 51 SER OG : rot 54:sc= 0.265 USER MOD Single : A 53 GLN : amide:sc= 1.44 K(o=1.4,f=-2.1) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0.278 K(o=0.28,f=-3.8!) USER MOD Single : A 64 ASN : amide:sc= 1.12 K(o=1.1,f=-0.84) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.26 F(o=-2.3,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc=-0.00699 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.900 8.571 -6.025 1.00 0.00 N ATOM 2 CA ALA A 1 10.771 8.128 -5.221 1.00 0.00 C ATOM 3 C ALA A 1 10.207 6.819 -5.773 1.00 0.00 C ATOM 4 O ALA A 1 9.929 5.882 -5.030 1.00 0.00 O ATOM 5 CB ALA A 1 9.698 9.216 -5.208 1.00 0.00 C ATOM 0 H1 ALA A 1 12.347 9.394 -5.572 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.594 7.800 -6.104 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.568 8.836 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 1 11.104 7.947 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.852 8.885 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.112 10.130 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.364 9.410 -6.227 1.00 0.00 H new ATOM 12 N VAL A 2 10.057 6.733 -7.096 1.00 0.00 N ATOM 13 CA VAL A 2 9.548 5.545 -7.773 1.00 0.00 C ATOM 14 C VAL A 2 10.660 4.486 -7.872 1.00 0.00 C ATOM 15 O VAL A 2 10.988 3.993 -8.949 1.00 0.00 O ATOM 16 CB VAL A 2 8.891 5.969 -9.106 1.00 0.00 C ATOM 17 CG1 VAL A 2 9.850 6.630 -10.110 1.00 0.00 C ATOM 18 CG2 VAL A 2 8.132 4.819 -9.781 1.00 0.00 C ATOM 0 H VAL A 2 10.289 7.496 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 2 8.756 5.055 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 2 8.176 6.736 -8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.303 6.894 -11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.276 7.530 -9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.651 5.934 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.690 5.172 -10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.822 4.002 -9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.343 4.464 -9.117 1.00 0.00 H new ATOM 28 N ILE A 3 11.256 4.122 -6.731 1.00 0.00 N ATOM 29 CA ILE A 3 12.327 3.136 -6.681 1.00 0.00 C ATOM 30 C ILE A 3 11.725 1.735 -6.836 1.00 0.00 C ATOM 31 O ILE A 3 11.513 0.997 -5.870 1.00 0.00 O ATOM 32 CB ILE A 3 13.206 3.282 -5.421 1.00 0.00 C ATOM 33 CG1 ILE A 3 13.511 4.741 -5.028 1.00 0.00 C ATOM 34 CG2 ILE A 3 14.510 2.495 -5.615 1.00 0.00 C ATOM 35 CD1 ILE A 3 14.176 5.573 -6.130 1.00 0.00 C ATOM 0 H ILE A 3 11.005 4.506 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 3 13.009 3.310 -7.513 1.00 0.00 H new ATOM 0 HB ILE A 3 12.630 2.873 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 3 12.580 5.227 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 3 14.159 4.739 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.132 2.597 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.279 1.442 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 3 15.046 2.886 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 3 14.353 6.585 -5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 3 15.126 5.116 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 3 13.523 5.611 -7.002 1.00 0.00 H new ATOM 47 N THR A 4 11.421 1.385 -8.084 1.00 0.00 N ATOM 48 CA THR A 4 10.933 0.075 -8.470 1.00 0.00 C ATOM 49 C THR A 4 12.032 -0.962 -8.231 1.00 0.00 C ATOM 50 O THR A 4 11.741 -2.101 -7.875 1.00 0.00 O ATOM 51 CB THR A 4 10.524 0.133 -9.945 1.00 0.00 C ATOM 52 OG1 THR A 4 11.500 0.872 -10.657 1.00 0.00 O ATOM 53 CG2 THR A 4 9.172 0.836 -10.089 1.00 0.00 C ATOM 0 H THR A 4 11.512 2.027 -8.872 1.00 0.00 H new ATOM 0 HA THR A 4 10.067 -0.215 -7.875 1.00 0.00 H new ATOM 0 HB THR A 4 10.446 -0.881 -10.338 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.251 0.915 -11.604 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.891 0.872 -11.141 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.415 0.287 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.246 1.851 -9.699 1.00 0.00 H new ATOM 61 N GLY A 5 13.301 -0.567 -8.393 1.00 0.00 N ATOM 62 CA GLY A 5 14.465 -1.417 -8.179 1.00 0.00 C ATOM 63 C GLY A 5 14.762 -1.640 -6.692 1.00 0.00 C ATOM 64 O GLY A 5 15.892 -1.440 -6.255 1.00 0.00 O ATOM 0 H GLY A 5 13.546 0.379 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 5 14.301 -2.380 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.334 -0.964 -8.656 1.00 0.00 H new ATOM 68 N ALA A 6 13.747 -2.085 -5.946 1.00 0.00 N ATOM 69 CA ALA A 6 13.761 -2.416 -4.527 1.00 0.00 C ATOM 70 C ALA A 6 13.961 -1.227 -3.582 1.00 0.00 C ATOM 71 O ALA A 6 14.613 -0.238 -3.905 1.00 0.00 O ATOM 72 CB ALA A 6 14.760 -3.537 -4.231 1.00 0.00 C ATOM 0 H ALA A 6 12.824 -2.233 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 6 12.752 -2.769 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.748 -3.762 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.483 -4.429 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.761 -3.219 -4.524 1.00 0.00 H new ATOM 78 N CYS A 7 13.357 -1.335 -2.398 1.00 0.00 N ATOM 79 CA CYS A 7 13.439 -0.381 -1.303 1.00 0.00 C ATOM 80 C CYS A 7 13.517 -1.171 -0.007 1.00 0.00 C ATOM 81 O CYS A 7 13.094 -2.325 0.045 1.00 0.00 O ATOM 82 CB CYS A 7 12.204 0.521 -1.281 1.00 0.00 C ATOM 83 SG CYS A 7 10.658 -0.381 -1.050 1.00 0.00 S ATOM 0 H CYS A 7 12.767 -2.135 -2.170 1.00 0.00 H new ATOM 0 HA CYS A 7 14.317 0.252 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.312 1.252 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.154 1.078 -2.216 1.00 0.00 H new ATOM 88 N GLU A 8 14.048 -0.542 1.040 1.00 0.00 N ATOM 89 CA GLU A 8 14.132 -1.123 2.365 1.00 0.00 C ATOM 90 C GLU A 8 13.018 -0.510 3.209 1.00 0.00 C ATOM 91 O GLU A 8 12.355 -1.232 3.947 1.00 0.00 O ATOM 92 CB GLU A 8 15.522 -0.898 2.979 1.00 0.00 C ATOM 93 CG GLU A 8 16.617 -1.719 2.278 1.00 0.00 C ATOM 94 CD GLU A 8 16.857 -1.303 0.828 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.170 -0.109 0.623 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.708 -2.176 -0.053 1.00 0.00 O ATOM 0 H GLU A 8 14.436 0.400 0.983 1.00 0.00 H new ATOM 0 HA GLU A 8 13.999 -2.204 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.774 0.161 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.495 -1.162 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.548 -1.618 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.342 -2.773 2.304 1.00 0.00 H new ATOM 103 N ARG A 9 12.791 0.805 3.103 1.00 0.00 N ATOM 104 CA ARG A 9 11.747 1.477 3.869 1.00 0.00 C ATOM 105 C ARG A 9 11.205 2.727 3.160 1.00 0.00 C ATOM 106 O ARG A 9 11.869 3.318 2.305 1.00 0.00 O ATOM 107 CB ARG A 9 12.219 1.744 5.310 1.00 0.00 C ATOM 108 CG ARG A 9 13.678 2.203 5.458 1.00 0.00 C ATOM 109 CD ARG A 9 13.968 3.490 4.685 1.00 0.00 C ATOM 110 NE ARG A 9 15.252 4.079 5.086 1.00 0.00 N ATOM 111 CZ ARG A 9 16.458 3.707 4.631 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.579 2.768 3.686 1.00 0.00 N ATOM 113 NH2 ARG A 9 17.552 4.287 5.134 1.00 0.00 N ATOM 0 H ARG A 9 13.322 1.423 2.490 1.00 0.00 H new ATOM 0 HA ARG A 9 10.892 0.804 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.572 2.503 5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.083 0.833 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.901 2.359 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.342 1.414 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.981 3.279 3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.167 4.208 4.858 1.00 0.00 H new ATOM 0 HE ARG A 9 15.225 4.836 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.746 2.323 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.504 2.497 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.464 5.003 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.475 4.013 4.797 1.00 0.00 H new ATOM 127 N ASP A 10 9.980 3.113 3.544 1.00 0.00 N ATOM 128 CA ASP A 10 9.180 4.211 3.004 1.00 0.00 C ATOM 129 C ASP A 10 9.965 5.479 2.687 1.00 0.00 C ATOM 130 O ASP A 10 9.653 6.147 1.705 1.00 0.00 O ATOM 131 CB ASP A 10 8.078 4.584 4.002 1.00 0.00 C ATOM 132 CG ASP A 10 6.773 3.833 3.821 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.748 2.733 3.232 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.760 4.361 4.324 1.00 0.00 O ATOM 0 H ASP A 10 9.490 2.627 4.296 1.00 0.00 H new ATOM 0 HA ASP A 10 8.782 3.835 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.447 4.405 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.880 5.653 3.920 1.00 0.00 H new ATOM 139 N LEU A 11 10.929 5.841 3.537 1.00 0.00 N ATOM 140 CA LEU A 11 11.734 7.048 3.376 1.00 0.00 C ATOM 141 C LEU A 11 12.333 7.151 1.969 1.00 0.00 C ATOM 142 O LEU A 11 12.444 8.245 1.422 1.00 0.00 O ATOM 143 CB LEU A 11 12.835 7.076 4.447 1.00 0.00 C ATOM 144 CG LEU A 11 13.603 8.406 4.536 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.711 9.555 5.021 1.00 0.00 C ATOM 146 CD2 LEU A 11 14.777 8.236 5.508 1.00 0.00 C ATOM 0 H LEU A 11 11.173 5.297 4.364 1.00 0.00 H new ATOM 0 HA LEU A 11 11.085 7.914 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.386 6.864 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.544 6.274 4.242 1.00 0.00 H new ATOM 0 HG LEU A 11 13.956 8.659 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.295 10.474 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.880 9.688 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.322 9.321 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.329 9.173 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.398 7.963 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.440 7.451 5.144 1.00 0.00 H new ATOM 158 N GLN A 12 12.718 6.015 1.376 1.00 0.00 N ATOM 159 CA GLN A 12 13.292 5.984 0.034 1.00 0.00 C ATOM 160 C GLN A 12 12.251 6.327 -1.037 1.00 0.00 C ATOM 161 O GLN A 12 12.612 6.685 -2.156 1.00 0.00 O ATOM 162 CB GLN A 12 13.868 4.589 -0.227 1.00 0.00 C ATOM 163 CG GLN A 12 15.037 4.297 0.718 1.00 0.00 C ATOM 164 CD GLN A 12 15.366 2.814 0.731 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.851 2.073 1.566 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.228 2.360 -0.169 1.00 0.00 N ATOM 0 H GLN A 12 12.639 5.097 1.814 1.00 0.00 H new ATOM 0 HA GLN A 12 14.079 6.736 -0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.089 3.838 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.204 4.517 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.913 4.865 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.786 4.627 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.639 2.999 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.480 1.372 -0.181 1.00 0.00 H new ATOM 175 N CYS A 13 10.970 6.181 -0.696 1.00 0.00 N ATOM 176 CA CYS A 13 9.833 6.385 -1.569 1.00 0.00 C ATOM 177 C CYS A 13 9.240 7.768 -1.290 1.00 0.00 C ATOM 178 O CYS A 13 9.470 8.723 -2.032 1.00 0.00 O ATOM 179 CB CYS A 13 8.826 5.242 -1.346 1.00 0.00 C ATOM 180 SG CYS A 13 9.494 3.569 -1.218 1.00 0.00 S ATOM 0 H CYS A 13 10.693 5.903 0.245 1.00 0.00 H new ATOM 0 HA CYS A 13 10.123 6.362 -2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.270 5.455 -0.433 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.109 5.258 -2.167 1.00 0.00 H new ATOM 185 N GLY A 14 8.508 7.891 -0.181 1.00 0.00 N ATOM 186 CA GLY A 14 7.902 9.120 0.298 1.00 0.00 C ATOM 187 C GLY A 14 6.866 9.730 -0.640 1.00 0.00 C ATOM 188 O GLY A 14 5.659 9.631 -0.424 1.00 0.00 O ATOM 0 H GLY A 14 8.317 7.097 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.429 8.924 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.690 9.853 0.473 1.00 0.00 H new ATOM 192 N LYS A 15 7.367 10.419 -1.658 1.00 0.00 N ATOM 193 CA LYS A 15 6.594 11.188 -2.623 1.00 0.00 C ATOM 194 C LYS A 15 5.512 10.321 -3.269 1.00 0.00 C ATOM 195 O LYS A 15 5.788 9.578 -4.211 1.00 0.00 O ATOM 196 CB LYS A 15 7.516 11.822 -3.674 1.00 0.00 C ATOM 197 CG LYS A 15 8.690 12.643 -3.115 1.00 0.00 C ATOM 198 CD LYS A 15 8.268 13.891 -2.323 1.00 0.00 C ATOM 199 CE LYS A 15 8.217 13.647 -0.808 1.00 0.00 C ATOM 200 NZ LYS A 15 7.868 14.881 -0.082 1.00 0.00 N ATOM 0 H LYS A 15 8.370 10.458 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 15 6.090 11.998 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.918 11.029 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.917 12.468 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.291 12.003 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.329 12.951 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.966 14.701 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.287 14.219 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.484 12.872 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.184 13.280 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.841 14.687 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.582 15.612 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.935 15.216 -0.396 1.00 0.00 H new ATOM 214 N GLY A 16 4.294 10.394 -2.721 1.00 0.00 N ATOM 215 CA GLY A 16 3.122 9.649 -3.161 1.00 0.00 C ATOM 216 C GLY A 16 3.407 8.157 -3.326 1.00 0.00 C ATOM 217 O GLY A 16 2.788 7.496 -4.161 1.00 0.00 O ATOM 0 H GLY A 16 4.096 11.001 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.317 9.784 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.771 10.056 -4.109 1.00 0.00 H new ATOM 221 N THR A 17 4.370 7.625 -2.571 1.00 0.00 N ATOM 222 CA THR A 17 4.744 6.228 -2.662 1.00 0.00 C ATOM 223 C THR A 17 5.074 5.691 -1.265 1.00 0.00 C ATOM 224 O THR A 17 5.360 6.474 -0.361 1.00 0.00 O ATOM 225 CB THR A 17 5.977 6.106 -3.585 1.00 0.00 C ATOM 226 OG1 THR A 17 6.899 7.129 -3.257 1.00 0.00 O ATOM 227 CG2 THR A 17 5.718 6.244 -5.084 1.00 0.00 C ATOM 0 H THR A 17 4.906 8.155 -1.884 1.00 0.00 H new ATOM 0 HA THR A 17 3.920 5.645 -3.073 1.00 0.00 H new ATOM 0 HB THR A 17 6.337 5.092 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.595 7.979 -3.639 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.658 6.140 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.025 5.467 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.286 7.223 -5.290 1.00 0.00 H new ATOM 235 N CYS A 18 5.058 4.366 -1.091 1.00 0.00 N ATOM 236 CA CYS A 18 5.451 3.683 0.137 1.00 0.00 C ATOM 237 C CYS A 18 6.226 2.413 -0.235 1.00 0.00 C ATOM 238 O CYS A 18 6.081 1.904 -1.348 1.00 0.00 O ATOM 239 CB CYS A 18 4.234 3.377 1.015 1.00 0.00 C ATOM 240 SG CYS A 18 3.623 1.683 0.890 1.00 0.00 S ATOM 0 H CYS A 18 4.762 3.723 -1.825 1.00 0.00 H new ATOM 0 HA CYS A 18 6.098 4.331 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.492 3.580 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.428 4.060 0.747 1.00 0.00 H new ATOM 245 N CYS A 19 7.044 1.895 0.682 1.00 0.00 N ATOM 246 CA CYS A 19 7.876 0.723 0.447 1.00 0.00 C ATOM 247 C CYS A 19 7.107 -0.550 0.799 1.00 0.00 C ATOM 248 O CYS A 19 7.225 -1.061 1.912 1.00 0.00 O ATOM 249 CB CYS A 19 9.161 0.855 1.269 1.00 0.00 C ATOM 250 SG CYS A 19 10.328 -0.486 0.992 1.00 0.00 S ATOM 0 H CYS A 19 7.146 2.285 1.619 1.00 0.00 H new ATOM 0 HA CYS A 19 8.143 0.657 -0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.643 1.802 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.904 0.890 2.328 1.00 0.00 H new ATOM 255 N ALA A 20 6.296 -1.057 -0.135 1.00 0.00 N ATOM 256 CA ALA A 20 5.454 -2.229 0.104 1.00 0.00 C ATOM 257 C ALA A 20 6.122 -3.502 -0.406 1.00 0.00 C ATOM 258 O ALA A 20 7.006 -3.440 -1.258 1.00 0.00 O ATOM 259 CB ALA A 20 4.087 -2.048 -0.553 1.00 0.00 C ATOM 0 H ALA A 20 6.206 -0.667 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 20 5.316 -2.328 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.474 -2.929 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.596 -1.169 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.214 -1.917 -1.628 1.00 0.00 H new ATOM 265 N VAL A 21 5.703 -4.659 0.118 1.00 0.00 N ATOM 266 CA VAL A 21 6.256 -5.947 -0.284 1.00 0.00 C ATOM 267 C VAL A 21 6.019 -6.167 -1.787 1.00 0.00 C ATOM 268 O VAL A 21 5.040 -5.674 -2.342 1.00 0.00 O ATOM 269 CB VAL A 21 5.654 -7.085 0.571 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.300 -8.437 0.248 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.864 -6.821 2.069 1.00 0.00 C ATOM 0 H VAL A 21 4.974 -4.724 0.829 1.00 0.00 H new ATOM 0 HA VAL A 21 7.332 -5.951 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 21 4.591 -7.114 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.851 -9.212 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.139 -8.675 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.370 -8.386 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.431 -7.637 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.931 -6.753 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.380 -5.884 2.345 1.00 0.00 H new ATOM 281 N SER A 22 6.910 -6.892 -2.464 1.00 0.00 N ATOM 282 CA SER A 22 6.777 -7.200 -3.875 1.00 0.00 C ATOM 283 C SER A 22 5.756 -8.327 -4.064 1.00 0.00 C ATOM 284 O SER A 22 5.659 -9.224 -3.228 1.00 0.00 O ATOM 285 CB SER A 22 8.159 -7.588 -4.398 1.00 0.00 C ATOM 286 OG SER A 22 9.079 -6.565 -4.104 1.00 0.00 O ATOM 0 H SER A 22 7.750 -7.283 -2.037 1.00 0.00 H new ATOM 0 HA SER A 22 6.412 -6.340 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.482 -8.524 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.118 -7.756 -5.474 1.00 0.00 H new ATOM 0 HG SER A 22 9.298 -6.587 -3.149 1.00 0.00 H new ATOM 292 N LEU A 23 4.979 -8.303 -5.150 1.00 0.00 N ATOM 293 CA LEU A 23 3.949 -9.315 -5.381 1.00 0.00 C ATOM 294 C LEU A 23 4.555 -10.701 -5.619 1.00 0.00 C ATOM 295 O LEU A 23 3.989 -11.693 -5.169 1.00 0.00 O ATOM 296 CB LEU A 23 3.028 -8.931 -6.552 1.00 0.00 C ATOM 297 CG LEU A 23 1.980 -7.833 -6.284 1.00 0.00 C ATOM 298 CD1 LEU A 23 0.688 -8.478 -5.776 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.414 -6.751 -5.291 1.00 0.00 C ATOM 0 H LEU A 23 5.045 -7.595 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 23 3.348 -9.359 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.654 -8.607 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.503 -9.828 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 23 1.839 -7.327 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.055 -7.703 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.307 -9.170 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.891 -9.021 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.610 -6.025 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.638 -7.210 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.304 -6.247 -5.668 1.00 0.00 H new ATOM 311 N TRP A 24 5.704 -10.775 -6.299 1.00 0.00 N ATOM 312 CA TRP A 24 6.287 -12.051 -6.709 1.00 0.00 C ATOM 313 C TRP A 24 7.382 -12.460 -5.720 1.00 0.00 C ATOM 314 O TRP A 24 7.216 -13.438 -4.992 1.00 0.00 O ATOM 315 CB TRP A 24 6.743 -11.971 -8.183 1.00 0.00 C ATOM 316 CG TRP A 24 5.928 -11.027 -9.022 1.00 0.00 C ATOM 317 CD1 TRP A 24 6.410 -9.937 -9.663 1.00 0.00 C ATOM 318 CD2 TRP A 24 4.476 -10.951 -9.152 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.364 -9.172 -10.139 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.150 -9.744 -9.836 1.00 0.00 C ATOM 321 CE3 TRP A 24 3.396 -11.729 -8.684 1.00 0.00 C ATOM 322 CZ2 TRP A 24 2.829 -9.314 -10.014 1.00 0.00 C ATOM 323 CZ3 TRP A 24 2.064 -11.325 -8.884 1.00 0.00 C ATOM 324 CH2 TRP A 24 1.787 -10.084 -9.482 1.00 0.00 C ATOM 0 H TRP A 24 6.249 -9.959 -6.577 1.00 0.00 H new ATOM 0 HA TRP A 24 5.545 -12.849 -6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.787 -11.660 -8.214 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.694 -12.967 -8.623 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.457 -9.701 -9.784 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.477 -8.296 -10.649 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.596 -12.653 -8.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.617 -8.403 -10.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.253 -11.969 -8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.770 -9.724 -9.531 1.00 0.00 H new ATOM 335 N ILE A 25 8.481 -11.703 -5.632 1.00 0.00 N ATOM 336 CA ILE A 25 9.535 -12.001 -4.675 1.00 0.00 C ATOM 337 C ILE A 25 9.118 -11.387 -3.340 1.00 0.00 C ATOM 338 O ILE A 25 9.650 -10.370 -2.902 1.00 0.00 O ATOM 339 CB ILE A 25 10.921 -11.565 -5.194 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.006 -11.830 -4.128 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.949 -10.112 -5.689 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.409 -11.946 -4.733 1.00 0.00 C ATOM 0 H ILE A 25 8.657 -10.883 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 25 9.655 -13.075 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 25 11.141 -12.176 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.996 -11.023 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.768 -12.749 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.951 -9.867 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.238 -9.992 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.678 -9.444 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.133 -12.132 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.431 -12.771 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.662 -11.018 -5.245 1.00 0.00 H new ATOM 354 N LYS A 26 8.190 -12.048 -2.648 1.00 0.00 N ATOM 355 CA LYS A 26 7.640 -11.591 -1.373 1.00 0.00 C ATOM 356 C LYS A 26 8.681 -11.401 -0.248 1.00 0.00 C ATOM 357 O LYS A 26 8.306 -11.066 0.871 1.00 0.00 O ATOM 358 CB LYS A 26 6.508 -12.536 -0.941 1.00 0.00 C ATOM 359 CG LYS A 26 5.362 -12.578 -1.965 1.00 0.00 C ATOM 360 CD LYS A 26 4.253 -13.516 -1.471 1.00 0.00 C ATOM 361 CE LYS A 26 3.075 -13.595 -2.451 1.00 0.00 C ATOM 362 NZ LYS A 26 3.482 -14.104 -3.773 1.00 0.00 N ATOM 0 H LYS A 26 7.792 -12.932 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 26 7.249 -10.588 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.908 -13.541 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.118 -12.215 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.961 -11.576 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.737 -12.921 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.665 -14.514 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.893 -13.170 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.303 -14.243 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.633 -12.605 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.715 -14.681 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.681 -13.304 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.337 -14.687 -3.672 1.00 0.00 H new ATOM 376 N SER A 27 9.977 -11.598 -0.525 1.00 0.00 N ATOM 377 CA SER A 27 11.070 -11.380 0.411 1.00 0.00 C ATOM 378 C SER A 27 11.733 -10.015 0.164 1.00 0.00 C ATOM 379 O SER A 27 12.710 -9.698 0.841 1.00 0.00 O ATOM 380 CB SER A 27 12.095 -12.511 0.247 1.00 0.00 C ATOM 381 OG SER A 27 13.121 -12.395 1.213 1.00 0.00 O ATOM 0 H SER A 27 10.296 -11.924 -1.438 1.00 0.00 H new ATOM 0 HA SER A 27 10.681 -11.381 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.599 -13.476 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.525 -12.478 -0.754 1.00 0.00 H new ATOM 0 HG SER A 27 13.302 -11.447 1.386 1.00 0.00 H new ATOM 387 N VAL A 28 11.256 -9.239 -0.815 1.00 0.00 N ATOM 388 CA VAL A 28 11.786 -7.935 -1.190 1.00 0.00 C ATOM 389 C VAL A 28 10.624 -6.945 -1.205 1.00 0.00 C ATOM 390 O VAL A 28 9.485 -7.331 -1.477 1.00 0.00 O ATOM 391 CB VAL A 28 12.446 -8.064 -2.577 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.625 -6.730 -3.311 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.805 -8.765 -2.453 1.00 0.00 C ATOM 0 H VAL A 28 10.459 -9.518 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 28 12.538 -7.578 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 28 11.758 -8.659 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.096 -6.907 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.651 -6.264 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.256 -6.069 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.262 -8.850 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.456 -8.183 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.664 -9.760 -2.031 1.00 0.00 H new ATOM 403 N ARG A 29 10.905 -5.668 -0.936 1.00 0.00 N ATOM 404 CA ARG A 29 9.924 -4.593 -0.970 1.00 0.00 C ATOM 405 C ARG A 29 10.319 -3.614 -2.079 1.00 0.00 C ATOM 406 O ARG A 29 11.507 -3.485 -2.374 1.00 0.00 O ATOM 407 CB ARG A 29 9.834 -3.903 0.399 1.00 0.00 C ATOM 408 CG ARG A 29 9.808 -4.847 1.606 1.00 0.00 C ATOM 409 CD ARG A 29 9.559 -4.043 2.893 1.00 0.00 C ATOM 410 NE ARG A 29 8.564 -4.715 3.735 1.00 0.00 N ATOM 411 CZ ARG A 29 8.805 -5.729 4.580 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.051 -6.067 4.930 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.773 -6.414 5.076 1.00 0.00 N ATOM 0 H ARG A 29 11.841 -5.351 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 29 8.932 -4.991 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.684 -3.228 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.934 -3.288 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.026 -5.595 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.754 -5.384 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.493 -3.929 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.213 -3.040 2.641 1.00 0.00 H new ATOM 0 HE ARG A 29 7.602 -4.382 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.845 -5.550 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.207 -6.842 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.820 -6.164 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.937 -7.188 5.720 1.00 0.00 H new ATOM 427 N VAL A 30 9.342 -2.949 -2.707 1.00 0.00 N ATOM 428 CA VAL A 30 9.537 -2.003 -3.804 1.00 0.00 C ATOM 429 C VAL A 30 8.693 -0.746 -3.563 1.00 0.00 C ATOM 430 O VAL A 30 7.627 -0.812 -2.934 1.00 0.00 O ATOM 431 CB VAL A 30 9.189 -2.657 -5.156 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.179 -3.764 -5.533 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.763 -3.227 -5.184 1.00 0.00 C ATOM 0 H VAL A 30 8.360 -3.061 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 30 10.587 -1.713 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 30 9.257 -1.855 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.894 -4.196 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.182 -3.345 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.166 -4.540 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.570 -3.676 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.659 -3.985 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.047 -2.425 -5.005 1.00 0.00 H new ATOM 443 N CYS A 31 9.175 0.413 -4.035 1.00 0.00 N ATOM 444 CA CYS A 31 8.438 1.659 -3.862 1.00 0.00 C ATOM 445 C CYS A 31 7.191 1.608 -4.730 1.00 0.00 C ATOM 446 O CYS A 31 7.251 1.793 -5.944 1.00 0.00 O ATOM 447 CB CYS A 31 9.271 2.896 -4.188 1.00 0.00 C ATOM 448 SG CYS A 31 10.550 3.318 -2.984 1.00 0.00 S ATOM 0 H CYS A 31 10.061 0.507 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 31 8.169 1.750 -2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.746 2.747 -5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.599 3.748 -4.290 1.00 0.00 H new ATOM 453 N THR A 32 6.063 1.347 -4.084 1.00 0.00 N ATOM 454 CA THR A 32 4.757 1.196 -4.689 1.00 0.00 C ATOM 455 C THR A 32 4.012 2.523 -4.494 1.00 0.00 C ATOM 456 O THR A 32 4.182 3.157 -3.453 1.00 0.00 O ATOM 457 CB THR A 32 4.092 0.008 -3.976 1.00 0.00 C ATOM 458 OG1 THR A 32 4.955 -1.114 -4.042 1.00 0.00 O ATOM 459 CG2 THR A 32 2.741 -0.391 -4.569 1.00 0.00 C ATOM 0 H THR A 32 6.039 1.230 -3.071 1.00 0.00 H new ATOM 0 HA THR A 32 4.774 0.988 -5.759 1.00 0.00 H new ATOM 0 HB THR A 32 3.912 0.328 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.756 -0.943 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.335 -1.236 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.052 0.451 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.871 -0.673 -5.614 1.00 0.00 H new ATOM 467 N PRO A 33 3.237 3.006 -5.476 1.00 0.00 N ATOM 468 CA PRO A 33 2.510 4.259 -5.337 1.00 0.00 C ATOM 469 C PRO A 33 1.375 4.130 -4.324 1.00 0.00 C ATOM 470 O PRO A 33 0.943 3.020 -4.008 1.00 0.00 O ATOM 471 CB PRO A 33 1.976 4.572 -6.738 1.00 0.00 C ATOM 472 CG PRO A 33 1.821 3.188 -7.368 1.00 0.00 C ATOM 473 CD PRO A 33 3.001 2.414 -6.782 1.00 0.00 C ATOM 0 HA PRO A 33 3.149 5.059 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.026 5.105 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.668 5.197 -7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.867 2.730 -7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.867 3.232 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.771 1.352 -6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.882 2.500 -7.418 1.00 0.00 H new ATOM 481 N VAL A 34 0.900 5.267 -3.800 1.00 0.00 N ATOM 482 CA VAL A 34 -0.318 5.270 -2.988 1.00 0.00 C ATOM 483 C VAL A 34 -1.429 4.600 -3.809 1.00 0.00 C ATOM 484 O VAL A 34 -1.489 4.744 -5.032 1.00 0.00 O ATOM 485 CB VAL A 34 -0.780 6.691 -2.597 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.230 7.211 -1.264 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.421 7.702 -3.681 1.00 0.00 C ATOM 0 H VAL A 34 1.334 6.182 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.107 4.736 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.859 6.592 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.612 8.215 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.545 6.549 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.859 7.239 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.758 8.694 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.660 7.714 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.908 7.422 -4.615 1.00 0.00 H new ATOM 497 N GLY A 35 -2.313 3.869 -3.137 1.00 0.00 N ATOM 498 CA GLY A 35 -3.424 3.199 -3.802 1.00 0.00 C ATOM 499 C GLY A 35 -4.417 4.218 -4.373 1.00 0.00 C ATOM 500 O GLY A 35 -4.446 5.372 -3.948 1.00 0.00 O ATOM 0 H GLY A 35 -2.280 3.726 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.044 2.567 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.935 2.545 -3.095 1.00 0.00 H new ATOM 504 N THR A 36 -5.234 3.809 -5.344 1.00 0.00 N ATOM 505 CA THR A 36 -6.238 4.659 -5.975 1.00 0.00 C ATOM 506 C THR A 36 -7.515 3.843 -6.222 1.00 0.00 C ATOM 507 O THR A 36 -7.624 2.698 -5.782 1.00 0.00 O ATOM 508 CB THR A 36 -5.652 5.291 -7.249 1.00 0.00 C ATOM 509 OG1 THR A 36 -6.563 6.231 -7.783 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.301 4.252 -8.321 1.00 0.00 C ATOM 0 H THR A 36 -5.214 2.861 -5.719 1.00 0.00 H new ATOM 0 HA THR A 36 -6.517 5.485 -5.321 1.00 0.00 H new ATOM 0 HB THR A 36 -4.724 5.784 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.183 6.631 -8.593 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.892 4.756 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.562 3.556 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.200 3.704 -8.605 1.00 0.00 H new ATOM 518 N SER A 37 -8.468 4.435 -6.942 1.00 0.00 N ATOM 519 CA SER A 37 -9.761 3.868 -7.290 1.00 0.00 C ATOM 520 C SER A 37 -9.666 2.414 -7.759 1.00 0.00 C ATOM 521 O SER A 37 -9.057 2.131 -8.788 1.00 0.00 O ATOM 522 CB SER A 37 -10.367 4.736 -8.393 1.00 0.00 C ATOM 523 OG SER A 37 -10.399 6.084 -7.964 1.00 0.00 O ATOM 0 H SER A 37 -8.347 5.376 -7.317 1.00 0.00 H new ATOM 0 HA SER A 37 -10.388 3.859 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.778 4.647 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.375 4.393 -8.629 1.00 0.00 H new ATOM 0 HG SER A 37 -11.297 6.303 -7.640 1.00 0.00 H new ATOM 529 N GLY A 38 -10.284 1.500 -7.010 1.00 0.00 N ATOM 530 CA GLY A 38 -10.358 0.084 -7.328 1.00 0.00 C ATOM 531 C GLY A 38 -9.145 -0.718 -6.863 1.00 0.00 C ATOM 532 O GLY A 38 -9.200 -1.946 -6.885 1.00 0.00 O ATOM 0 H GLY A 38 -10.760 1.738 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.255 -0.335 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.466 -0.031 -8.407 1.00 0.00 H new ATOM 536 N GLU A 39 -8.053 -0.071 -6.441 1.00 0.00 N ATOM 537 CA GLU A 39 -6.873 -0.791 -6.004 1.00 0.00 C ATOM 538 C GLU A 39 -7.168 -1.513 -4.688 1.00 0.00 C ATOM 539 O GLU A 39 -7.915 -1.003 -3.850 1.00 0.00 O ATOM 540 CB GLU A 39 -5.718 0.208 -5.871 1.00 0.00 C ATOM 541 CG GLU A 39 -4.379 -0.427 -5.489 1.00 0.00 C ATOM 542 CD GLU A 39 -3.948 -1.533 -6.447 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.338 -2.693 -6.188 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.251 -1.194 -7.428 1.00 0.00 O ATOM 0 H GLU A 39 -7.971 0.945 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.588 -1.552 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.600 0.737 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.981 0.953 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.610 0.346 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.451 -0.835 -4.481 1.00 0.00 H new ATOM 551 N ASP A 40 -6.586 -2.701 -4.515 1.00 0.00 N ATOM 552 CA ASP A 40 -6.722 -3.485 -3.300 1.00 0.00 C ATOM 553 C ASP A 40 -5.874 -2.842 -2.206 1.00 0.00 C ATOM 554 O ASP A 40 -4.784 -2.340 -2.480 1.00 0.00 O ATOM 555 CB ASP A 40 -6.286 -4.933 -3.546 1.00 0.00 C ATOM 556 CG ASP A 40 -7.359 -5.730 -4.282 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.357 -5.674 -5.530 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.166 -6.379 -3.580 1.00 0.00 O ATOM 0 H ASP A 40 -6.003 -3.144 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.766 -3.503 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.364 -4.941 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.066 -5.413 -2.593 1.00 0.00 H new ATOM 563 N CYS A 41 -6.361 -2.858 -0.965 1.00 0.00 N ATOM 564 CA CYS A 41 -5.651 -2.298 0.172 1.00 0.00 C ATOM 565 C CYS A 41 -5.874 -3.147 1.409 1.00 0.00 C ATOM 566 O CYS A 41 -6.867 -3.865 1.520 1.00 0.00 O ATOM 567 CB CYS A 41 -6.052 -0.833 0.429 1.00 0.00 C ATOM 568 SG CYS A 41 -6.599 -0.393 2.105 1.00 0.00 S ATOM 0 H CYS A 41 -7.265 -3.264 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.587 -2.305 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.200 -0.202 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.853 -0.577 -0.264 1.00 0.00 H new ATOM 573 N HIS A 42 -4.937 -3.023 2.341 1.00 0.00 N ATOM 574 CA HIS A 42 -5.014 -3.619 3.656 1.00 0.00 C ATOM 575 C HIS A 42 -5.505 -2.481 4.547 1.00 0.00 C ATOM 576 O HIS A 42 -4.853 -1.433 4.581 1.00 0.00 O ATOM 577 CB HIS A 42 -3.629 -4.095 4.104 1.00 0.00 C ATOM 578 CG HIS A 42 -3.682 -4.862 5.397 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.321 -4.367 6.534 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.217 -6.117 5.666 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.229 -5.354 7.430 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.576 -6.426 6.960 1.00 0.00 N ATOM 0 H HIS A 42 -4.081 -2.489 2.192 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.668 -4.490 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.195 -4.725 3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.971 -3.234 4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.667 -6.753 4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.638 -5.294 8.428 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.384 -7.295 7.459 1.00 0.00 H new ATOM 590 N PRO A 43 -6.634 -2.633 5.255 1.00 0.00 N ATOM 591 CA PRO A 43 -7.196 -1.559 6.059 1.00 0.00 C ATOM 592 C PRO A 43 -6.209 -1.013 7.098 1.00 0.00 C ATOM 593 O PRO A 43 -6.369 0.124 7.533 1.00 0.00 O ATOM 594 CB PRO A 43 -8.459 -2.138 6.702 1.00 0.00 C ATOM 595 CG PRO A 43 -8.210 -3.646 6.701 1.00 0.00 C ATOM 596 CD PRO A 43 -7.393 -3.862 5.429 1.00 0.00 C ATOM 0 HA PRO A 43 -7.429 -0.693 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.604 -1.757 7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.352 -1.880 6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.665 -3.965 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.143 -4.209 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.732 -4.723 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.040 -4.051 4.572 1.00 0.00 H new ATOM 604 N ALA A 44 -5.182 -1.785 7.479 1.00 0.00 N ATOM 605 CA ALA A 44 -4.176 -1.351 8.438 1.00 0.00 C ATOM 606 C ALA A 44 -2.897 -0.865 7.743 1.00 0.00 C ATOM 607 O ALA A 44 -1.844 -0.847 8.377 1.00 0.00 O ATOM 608 CB ALA A 44 -3.882 -2.489 9.419 1.00 0.00 C ATOM 0 H ALA A 44 -5.032 -2.730 7.125 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.570 -0.499 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.129 -2.165 10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.796 -2.758 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.511 -3.355 8.871 1.00 0.00 H new ATOM 614 N SER A 45 -2.962 -0.470 6.462 1.00 0.00 N ATOM 615 CA SER A 45 -1.832 0.118 5.761 1.00 0.00 C ATOM 616 C SER A 45 -1.365 1.345 6.549 1.00 0.00 C ATOM 617 O SER A 45 -1.989 2.399 6.459 1.00 0.00 O ATOM 618 CB SER A 45 -2.266 0.548 4.353 1.00 0.00 C ATOM 619 OG SER A 45 -2.471 -0.574 3.511 1.00 0.00 O ATOM 0 H SER A 45 -3.803 -0.553 5.892 1.00 0.00 H new ATOM 0 HA SER A 45 -1.023 -0.608 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.185 1.131 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.506 1.197 3.918 1.00 0.00 H new ATOM 0 HG SER A 45 -3.307 -1.021 3.759 1.00 0.00 H new ATOM 625 N HIS A 46 -0.277 1.219 7.315 1.00 0.00 N ATOM 626 CA HIS A 46 0.205 2.315 8.148 1.00 0.00 C ATOM 627 C HIS A 46 0.554 3.536 7.306 1.00 0.00 C ATOM 628 O HIS A 46 0.862 3.417 6.116 1.00 0.00 O ATOM 629 CB HIS A 46 1.394 1.877 9.003 1.00 0.00 C ATOM 630 CG HIS A 46 1.462 2.528 10.359 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.459 3.912 10.520 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.487 1.940 11.596 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.499 4.101 11.843 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.518 2.951 12.533 1.00 0.00 N ATOM 0 H HIS A 46 0.283 0.368 7.373 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.603 2.598 8.822 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.352 0.796 9.135 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.315 2.096 8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.483 0.879 11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.514 5.076 12.307 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.549 2.846 13.547 1.00 0.00 H new ATOM 642 N LYS A 47 0.553 4.695 7.954 1.00 0.00 N ATOM 643 CA LYS A 47 0.754 5.983 7.293 1.00 0.00 C ATOM 644 C LYS A 47 2.100 6.067 6.568 1.00 0.00 C ATOM 645 O LYS A 47 2.978 5.234 6.779 1.00 0.00 O ATOM 646 CB LYS A 47 0.533 7.165 8.256 1.00 0.00 C ATOM 647 CG LYS A 47 1.329 7.172 9.572 1.00 0.00 C ATOM 648 CD LYS A 47 2.834 6.920 9.403 1.00 0.00 C ATOM 649 CE LYS A 47 3.602 7.248 10.687 1.00 0.00 C ATOM 650 NZ LYS A 47 5.007 6.816 10.585 1.00 0.00 N ATOM 0 H LYS A 47 0.412 4.770 8.961 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.011 6.059 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.766 8.084 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.528 7.201 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.187 8.134 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.918 6.411 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.002 5.877 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.217 7.528 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.560 8.321 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.127 6.756 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.585 7.353 11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.074 5.801 10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.354 6.989 9.620 1.00 0.00 H new ATOM 664 N ILE A 48 2.252 7.052 5.683 1.00 0.00 N ATOM 665 CA ILE A 48 3.496 7.330 4.972 1.00 0.00 C ATOM 666 C ILE A 48 4.118 8.554 5.662 1.00 0.00 C ATOM 667 O ILE A 48 3.380 9.500 5.939 1.00 0.00 O ATOM 668 CB ILE A 48 3.215 7.624 3.482 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.451 6.461 2.824 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.524 7.889 2.718 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.074 6.742 1.366 1.00 0.00 C ATOM 0 H ILE A 48 1.497 7.691 5.436 1.00 0.00 H new ATOM 0 HA ILE A 48 4.172 6.475 5.003 1.00 0.00 H new ATOM 0 HB ILE A 48 2.595 8.519 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.063 5.560 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.545 6.259 3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.299 8.093 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.032 8.749 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.169 7.013 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.538 5.886 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.437 7.625 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.979 6.915 0.783 1.00 0.00 H new ATOM 683 N PRO A 49 5.433 8.594 5.933 1.00 0.00 N ATOM 684 CA PRO A 49 6.400 7.524 5.763 1.00 0.00 C ATOM 685 C PRO A 49 6.393 6.606 6.992 1.00 0.00 C ATOM 686 O PRO A 49 6.406 7.084 8.125 1.00 0.00 O ATOM 687 CB PRO A 49 7.746 8.240 5.628 1.00 0.00 C ATOM 688 CG PRO A 49 7.579 9.471 6.521 1.00 0.00 C ATOM 689 CD PRO A 49 6.092 9.810 6.383 1.00 0.00 C ATOM 0 HA PRO A 49 6.183 6.894 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.572 7.611 5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.952 8.518 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.848 9.257 7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.211 10.295 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.680 10.145 7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.943 10.620 5.668 1.00 0.00 H new ATOM 697 N PHE A 50 6.411 5.291 6.777 1.00 0.00 N ATOM 698 CA PHE A 50 6.459 4.295 7.834 1.00 0.00 C ATOM 699 C PHE A 50 7.904 3.830 7.994 1.00 0.00 C ATOM 700 O PHE A 50 8.374 2.950 7.271 1.00 0.00 O ATOM 701 CB PHE A 50 5.543 3.113 7.497 1.00 0.00 C ATOM 702 CG PHE A 50 5.455 2.080 8.602 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.840 2.417 9.823 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.023 0.803 8.436 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.793 1.483 10.871 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.927 -0.148 9.467 1.00 0.00 C ATOM 707 CZ PHE A 50 5.321 0.195 10.688 1.00 0.00 C ATOM 0 H PHE A 50 6.392 4.885 5.841 1.00 0.00 H new ATOM 0 HA PHE A 50 6.108 4.729 8.770 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.543 3.489 7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.905 2.631 6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.403 3.396 9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.532 0.554 7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.351 1.756 11.818 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.319 -1.143 9.321 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.262 -0.532 11.485 1.00 0.00 H new ATOM 717 N SER A 51 8.620 4.438 8.941 1.00 0.00 N ATOM 718 CA SER A 51 9.996 4.104 9.259 1.00 0.00 C ATOM 719 C SER A 51 10.030 2.756 9.985 1.00 0.00 C ATOM 720 O SER A 51 10.251 2.709 11.195 1.00 0.00 O ATOM 721 CB SER A 51 10.559 5.234 10.127 1.00 0.00 C ATOM 722 OG SER A 51 9.671 5.465 11.203 1.00 0.00 O ATOM 0 H SER A 51 8.245 5.192 9.517 1.00 0.00 H new ATOM 0 HA SER A 51 10.606 4.008 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.546 4.966 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.679 6.141 9.535 1.00 0.00 H new ATOM 0 HG SER A 51 9.512 4.625 11.682 1.00 0.00 H new ATOM 728 N GLY A 52 9.787 1.674 9.248 1.00 0.00 N ATOM 729 CA GLY A 52 9.762 0.315 9.754 1.00 0.00 C ATOM 730 C GLY A 52 9.750 -0.640 8.568 1.00 0.00 C ATOM 731 O GLY A 52 10.331 -0.337 7.527 1.00 0.00 O ATOM 0 H GLY A 52 9.596 1.728 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.633 0.128 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.881 0.158 10.376 1.00 0.00 H new ATOM 735 N GLN A 53 9.106 -1.799 8.719 1.00 0.00 N ATOM 736 CA GLN A 53 8.953 -2.799 7.671 1.00 0.00 C ATOM 737 C GLN A 53 7.461 -3.031 7.473 1.00 0.00 C ATOM 738 O GLN A 53 6.780 -3.480 8.393 1.00 0.00 O ATOM 739 CB GLN A 53 9.663 -4.100 8.072 1.00 0.00 C ATOM 740 CG GLN A 53 11.192 -3.970 8.109 1.00 0.00 C ATOM 741 CD GLN A 53 11.781 -3.658 6.736 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.132 -4.559 5.979 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.874 -2.381 6.389 1.00 0.00 N ATOM 0 H GLN A 53 8.666 -2.071 9.598 1.00 0.00 H new ATOM 0 HA GLN A 53 9.404 -2.456 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.308 -4.412 9.054 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.389 -4.887 7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.470 -3.182 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.624 -4.897 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.575 -1.653 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.245 -2.127 5.473 1.00 0.00 H new ATOM 752 N ARG A 54 6.936 -2.685 6.296 1.00 0.00 N ATOM 753 CA ARG A 54 5.528 -2.876 6.003 1.00 0.00 C ATOM 754 C ARG A 54 5.247 -4.363 5.841 1.00 0.00 C ATOM 755 O ARG A 54 5.446 -4.919 4.764 1.00 0.00 O ATOM 756 CB ARG A 54 5.127 -2.126 4.728 1.00 0.00 C ATOM 757 CG ARG A 54 5.079 -0.619 4.978 1.00 0.00 C ATOM 758 CD ARG A 54 4.543 0.100 3.740 1.00 0.00 C ATOM 759 NE ARG A 54 4.403 1.537 3.997 1.00 0.00 N ATOM 760 CZ ARG A 54 3.351 2.120 4.589 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.291 1.397 4.963 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.359 3.426 4.827 1.00 0.00 N ATOM 0 H ARG A 54 7.472 -2.271 5.534 1.00 0.00 H new ATOM 0 HA ARG A 54 4.940 -2.477 6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.839 -2.345 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.152 -2.474 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.443 -0.405 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.076 -0.250 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.218 -0.060 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.577 -0.320 3.458 1.00 0.00 H new ATOM 0 HE ARG A 54 5.169 2.142 3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.277 0.390 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.496 1.852 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.167 3.988 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.557 3.867 5.278 1.00 0.00 H new ATOM 776 N MET A 55 4.720 -5.013 6.877 1.00 0.00 N ATOM 777 CA MET A 55 4.330 -6.417 6.827 1.00 0.00 C ATOM 778 C MET A 55 2.965 -6.555 6.131 1.00 0.00 C ATOM 779 O MET A 55 2.168 -7.420 6.484 1.00 0.00 O ATOM 780 CB MET A 55 4.314 -6.994 8.250 1.00 0.00 C ATOM 781 CG MET A 55 5.683 -6.876 8.932 1.00 0.00 C ATOM 782 SD MET A 55 5.777 -7.643 10.568 1.00 0.00 S ATOM 783 CE MET A 55 7.459 -7.166 11.024 1.00 0.00 C ATOM 0 H MET A 55 4.551 -4.574 7.782 1.00 0.00 H new ATOM 0 HA MET A 55 5.053 -6.988 6.244 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.566 -6.471 8.845 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.016 -8.042 8.213 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.436 -7.331 8.288 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.939 -5.820 9.025 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.692 -7.557 12.014 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.162 -7.574 10.298 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.539 -6.079 11.035 1.00 0.00 H new ATOM 793 N HIS A 56 2.703 -5.693 5.143 1.00 0.00 N ATOM 794 CA HIS A 56 1.501 -5.632 4.333 1.00 0.00 C ATOM 795 C HIS A 56 1.957 -5.363 2.904 1.00 0.00 C ATOM 796 O HIS A 56 2.996 -4.743 2.680 1.00 0.00 O ATOM 797 CB HIS A 56 0.563 -4.504 4.788 1.00 0.00 C ATOM 798 CG HIS A 56 0.040 -4.623 6.193 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.308 -5.730 6.921 1.00 0.00 N flip ATOM 800 CD2 HIS A 56 -0.203 -3.485 6.959 1.00 0.00 C flip ATOM 801 CE1 HIS A 56 -0.737 -5.290 8.154 1.00 0.00 C flip ATOM 802 NE2 HIS A 56 -0.670 -3.951 8.119 1.00 0.00 N flip ATOM 0 H HIS A 56 3.376 -4.974 4.877 1.00 0.00 H new ATOM 0 HA HIS A 56 0.945 -6.566 4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.092 -3.556 4.695 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.286 -4.464 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.048 -2.454 6.677 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.062 -5.901 8.983 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.947 -3.352 8.897 1.00 0.00 H new ATOM 810 N HIS A 57 1.161 -5.814 1.939 1.00 0.00 N ATOM 811 CA HIS A 57 1.485 -5.697 0.526 1.00 0.00 C ATOM 812 C HIS A 57 1.105 -4.353 -0.063 1.00 0.00 C ATOM 813 O HIS A 57 1.435 -4.084 -1.216 1.00 0.00 O ATOM 814 CB HIS A 57 0.675 -6.746 -0.250 1.00 0.00 C ATOM 815 CG HIS A 57 1.547 -7.772 -0.874 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.419 -9.103 -0.518 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.591 -7.621 -1.741 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.413 -9.698 -1.166 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.173 -8.860 -1.884 1.00 0.00 N ATOM 0 H HIS A 57 0.268 -6.273 2.119 1.00 0.00 H new ATOM 0 HA HIS A 57 2.564 -5.830 0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.030 -7.231 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.087 -6.251 -1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.901 -6.705 -2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.593 -10.762 -1.119 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.007 -9.092 -2.423 1.00 0.00 H new ATOM 827 N THR A 58 0.359 -3.548 0.688 1.00 0.00 N ATOM 828 CA THR A 58 -0.315 -2.404 0.128 1.00 0.00 C ATOM 829 C THR A 58 0.099 -1.109 0.812 1.00 0.00 C ATOM 830 O THR A 58 0.482 -1.100 1.982 1.00 0.00 O ATOM 831 CB THR A 58 -1.821 -2.704 0.210 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.306 -2.607 1.543 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.087 -4.149 -0.286 1.00 0.00 C ATOM 0 H THR A 58 0.212 -3.676 1.689 1.00 0.00 H new ATOM 0 HA THR A 58 -0.035 -2.243 -0.913 1.00 0.00 H new ATOM 0 HB THR A 58 -2.334 -1.969 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.255 -1.675 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.154 -4.363 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.753 -4.246 -1.319 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.541 -4.855 0.340 1.00 0.00 H new ATOM 841 N CYS A 59 0.017 -0.014 0.060 1.00 0.00 N ATOM 842 CA CYS A 59 0.292 1.321 0.556 1.00 0.00 C ATOM 843 C CYS A 59 -1.049 1.970 0.855 1.00 0.00 C ATOM 844 O CYS A 59 -2.057 1.561 0.276 1.00 0.00 O ATOM 845 CB CYS A 59 0.989 2.164 -0.519 1.00 0.00 C ATOM 846 SG CYS A 59 2.664 1.667 -0.945 1.00 0.00 S ATOM 0 H CYS A 59 -0.247 -0.036 -0.925 1.00 0.00 H new ATOM 0 HA CYS A 59 0.934 1.262 1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.382 2.138 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.013 3.200 -0.181 1.00 0.00 H new ATOM 851 N PRO A 60 -1.086 2.971 1.746 1.00 0.00 N ATOM 852 CA PRO A 60 -2.287 3.750 1.965 1.00 0.00 C ATOM 853 C PRO A 60 -2.787 4.289 0.626 1.00 0.00 C ATOM 854 O PRO A 60 -2.009 4.478 -0.313 1.00 0.00 O ATOM 855 CB PRO A 60 -1.879 4.880 2.913 1.00 0.00 C ATOM 856 CG PRO A 60 -0.746 4.230 3.701 1.00 0.00 C ATOM 857 CD PRO A 60 -0.028 3.401 2.640 1.00 0.00 C ATOM 0 HA PRO A 60 -3.099 3.165 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.546 5.767 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.701 5.190 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.086 4.973 4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.123 3.608 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.722 3.991 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.489 2.550 3.083 1.00 0.00 H new ATOM 865 N CYS A 61 -4.092 4.504 0.519 1.00 0.00 N ATOM 866 CA CYS A 61 -4.664 5.016 -0.710 1.00 0.00 C ATOM 867 C CYS A 61 -4.614 6.536 -0.694 1.00 0.00 C ATOM 868 O CYS A 61 -4.417 7.140 0.361 1.00 0.00 O ATOM 869 CB CYS A 61 -6.057 4.439 -0.923 1.00 0.00 C ATOM 870 SG CYS A 61 -6.019 2.647 -1.131 1.00 0.00 S ATOM 0 H CYS A 61 -4.766 4.332 1.265 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.079 4.695 -1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.689 4.692 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.509 4.897 -1.803 1.00 0.00 H new ATOM 875 N ALA A 62 -4.750 7.156 -1.868 1.00 0.00 N ATOM 876 CA ALA A 62 -4.748 8.600 -1.999 1.00 0.00 C ATOM 877 C ALA A 62 -5.767 9.151 -0.990 1.00 0.00 C ATOM 878 O ALA A 62 -6.891 8.664 -0.981 1.00 0.00 O ATOM 879 CB ALA A 62 -5.076 8.969 -3.445 1.00 0.00 C ATOM 0 H ALA A 62 -4.865 6.662 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.775 9.038 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.077 10.054 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.326 8.539 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.059 8.578 -3.706 1.00 0.00 H new ATOM 885 N PRO A 63 -5.398 10.119 -0.139 1.00 0.00 N ATOM 886 CA PRO A 63 -6.188 10.637 0.975 1.00 0.00 C ATOM 887 C PRO A 63 -7.726 10.547 0.944 1.00 0.00 C ATOM 888 O PRO A 63 -8.316 10.233 1.975 1.00 0.00 O ATOM 889 CB PRO A 63 -5.641 12.043 1.222 1.00 0.00 C ATOM 890 CG PRO A 63 -4.146 11.829 0.963 1.00 0.00 C ATOM 891 CD PRO A 63 -4.105 10.790 -0.164 1.00 0.00 C ATOM 0 HA PRO A 63 -6.054 9.953 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.075 12.779 0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.838 12.389 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.656 12.757 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.635 11.469 1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.932 11.267 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.293 10.079 -0.010 1.00 0.00 H new ATOM 899 N ASN A 64 -8.405 10.817 -0.176 1.00 0.00 N ATOM 900 CA ASN A 64 -9.867 10.725 -0.216 1.00 0.00 C ATOM 901 C ASN A 64 -10.362 9.276 -0.156 1.00 0.00 C ATOM 902 O ASN A 64 -11.410 8.987 0.416 1.00 0.00 O ATOM 903 CB ASN A 64 -10.439 11.271 -1.530 1.00 0.00 C ATOM 904 CG ASN A 64 -10.134 12.707 -1.899 1.00 0.00 C ATOM 905 OD1 ASN A 64 -9.359 13.406 -1.253 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.732 13.121 -3.006 1.00 0.00 N ATOM 0 H ASN A 64 -7.972 11.097 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.197 11.301 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.080 10.635 -2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.523 11.159 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.557 14.062 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.368 12.499 -3.505 1.00 0.00 H new ATOM 913 N LEU A 65 -9.641 8.387 -0.840 1.00 0.00 N ATOM 914 CA LEU A 65 -10.020 7.007 -1.093 1.00 0.00 C ATOM 915 C LEU A 65 -10.382 6.249 0.185 1.00 0.00 C ATOM 916 O LEU A 65 -9.598 6.207 1.131 1.00 0.00 O ATOM 917 CB LEU A 65 -8.877 6.287 -1.820 1.00 0.00 C ATOM 918 CG LEU A 65 -8.688 6.604 -3.317 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.698 5.838 -4.171 1.00 0.00 C ATOM 920 CD2 LEU A 65 -8.781 8.082 -3.705 1.00 0.00 C ATOM 0 H LEU A 65 -8.737 8.625 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.914 7.025 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.946 6.523 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.035 5.213 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.662 6.290 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.543 6.080 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.563 4.767 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.710 6.120 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.633 8.186 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.764 8.468 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.012 8.646 -3.176 1.00 0.00 H new ATOM 932 N ALA A 66 -11.550 5.599 0.186 1.00 0.00 N ATOM 933 CA ALA A 66 -12.036 4.813 1.311 1.00 0.00 C ATOM 934 C ALA A 66 -11.773 3.330 1.046 1.00 0.00 C ATOM 935 O ALA A 66 -12.309 2.777 0.088 1.00 0.00 O ATOM 936 CB ALA A 66 -13.531 5.073 1.498 1.00 0.00 C ATOM 0 H ALA A 66 -12.189 5.608 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.513 5.101 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.900 4.487 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.694 6.133 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.066 4.786 0.593 1.00 0.00 H new ATOM 942 N CYS A 67 -10.956 2.682 1.881 1.00 0.00 N ATOM 943 CA CYS A 67 -10.647 1.260 1.759 1.00 0.00 C ATOM 944 C CYS A 67 -11.807 0.454 2.350 1.00 0.00 C ATOM 945 O CYS A 67 -11.862 0.271 3.563 1.00 0.00 O ATOM 946 CB CYS A 67 -9.316 0.956 2.460 1.00 0.00 C ATOM 947 SG CYS A 67 -8.658 -0.695 2.135 1.00 0.00 S ATOM 0 H CYS A 67 -10.488 3.136 2.666 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.532 0.978 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.578 1.695 2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.451 1.074 3.535 1.00 0.00 H new ATOM 952 N VAL A 68 -12.753 0.008 1.515 1.00 0.00 N ATOM 953 CA VAL A 68 -13.937 -0.737 1.945 1.00 0.00 C ATOM 954 C VAL A 68 -13.715 -2.230 1.705 1.00 0.00 C ATOM 955 O VAL A 68 -13.022 -2.611 0.766 1.00 0.00 O ATOM 956 CB VAL A 68 -15.195 -0.250 1.202 1.00 0.00 C ATOM 957 CG1 VAL A 68 -16.478 -0.826 1.820 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.304 1.281 1.211 1.00 0.00 C ATOM 0 H VAL A 68 -12.715 0.158 0.507 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.094 -0.564 3.010 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.092 -0.603 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.344 -0.460 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.449 -1.914 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.552 -0.513 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.204 1.585 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.355 1.636 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.430 1.711 0.722 1.00 0.00 H new ATOM 968 N GLN A 69 -14.307 -3.083 2.539 1.00 0.00 N ATOM 969 CA GLN A 69 -14.163 -4.526 2.427 1.00 0.00 C ATOM 970 C GLN A 69 -14.949 -5.054 1.224 1.00 0.00 C ATOM 971 O GLN A 69 -16.098 -4.664 1.031 1.00 0.00 O ATOM 972 CB GLN A 69 -14.496 -5.175 3.779 1.00 0.00 C ATOM 973 CG GLN A 69 -15.982 -5.444 4.035 1.00 0.00 C ATOM 974 CD GLN A 69 -16.542 -6.646 3.274 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.700 -7.582 2.838 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.744 -6.730 3.053 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.902 -2.787 3.313 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.131 -4.806 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.956 -6.119 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.119 -4.531 4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.132 -5.602 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.553 -4.557 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.377 -6.006 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.112 -7.524 2.529 1.00 0.00 H new ATOM 985 N THR A 70 -14.325 -5.916 0.415 1.00 0.00 N ATOM 986 CA THR A 70 -14.976 -6.593 -0.706 1.00 0.00 C ATOM 987 C THR A 70 -15.099 -8.087 -0.388 1.00 0.00 C ATOM 988 O THR A 70 -16.023 -8.759 -0.842 1.00 0.00 O ATOM 989 CB THR A 70 -14.264 -6.293 -2.032 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.920 -6.728 -2.042 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.302 -4.790 -2.323 1.00 0.00 C ATOM 0 H THR A 70 -13.342 -6.165 0.523 1.00 0.00 H new ATOM 0 HA THR A 70 -15.987 -6.207 -0.840 1.00 0.00 H new ATOM 0 HB THR A 70 -14.799 -6.846 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.602 -6.830 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.794 -4.589 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.338 -4.459 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.801 -4.251 -1.519 1.00 0.00 H new ATOM 999 N SER A 71 -14.169 -8.623 0.404 1.00 0.00 N ATOM 1000 CA SER A 71 -14.200 -9.970 0.960 1.00 0.00 C ATOM 1001 C SER A 71 -13.397 -9.871 2.274 1.00 0.00 C ATOM 1002 O SER A 71 -12.993 -8.754 2.620 1.00 0.00 O ATOM 1003 CB SER A 71 -13.688 -10.996 -0.070 1.00 0.00 C ATOM 1004 OG SER A 71 -14.032 -10.627 -1.394 1.00 0.00 O ATOM 0 H SER A 71 -13.338 -8.104 0.686 1.00 0.00 H new ATOM 0 HA SER A 71 -15.200 -10.339 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.605 -11.085 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.107 -11.977 0.155 1.00 0.00 H new ATOM 0 HG SER A 71 -14.586 -11.329 -1.796 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.187 -10.940 3.061 1.00 0.00 N ATOM 1011 CA PRO A 72 -12.402 -10.813 4.280 1.00 0.00 C ATOM 1012 C PRO A 72 -10.953 -10.537 3.874 1.00 0.00 C ATOM 1013 O PRO A 72 -10.447 -11.182 2.957 1.00 0.00 O ATOM 1014 CB PRO A 72 -12.580 -12.131 5.034 1.00 0.00 C ATOM 1015 CG PRO A 72 -12.872 -13.140 3.925 1.00 0.00 C ATOM 1016 CD PRO A 72 -13.605 -12.319 2.860 1.00 0.00 C ATOM 0 HA PRO A 72 -12.712 -9.994 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.683 -12.398 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.398 -12.075 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.954 -13.576 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.487 -13.964 4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.349 -12.662 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.685 -12.419 2.965 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.312 -9.544 4.503 1.00 0.00 N ATOM 1025 CA LYS A 73 -8.956 -9.067 4.219 1.00 0.00 C ATOM 1026 C LYS A 73 -8.901 -8.283 2.899 1.00 0.00 C ATOM 1027 O LYS A 73 -8.316 -7.202 2.839 1.00 0.00 O ATOM 1028 CB LYS A 73 -7.912 -10.196 4.257 1.00 0.00 C ATOM 1029 CG LYS A 73 -7.981 -10.995 5.567 1.00 0.00 C ATOM 1030 CD LYS A 73 -6.818 -11.988 5.705 1.00 0.00 C ATOM 1031 CE LYS A 73 -6.858 -13.078 4.627 1.00 0.00 C ATOM 1032 NZ LYS A 73 -5.830 -14.106 4.867 1.00 0.00 N ATOM 0 H LYS A 73 -10.750 -9.025 5.264 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.692 -8.379 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.072 -10.867 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.914 -9.772 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.970 -10.306 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.926 -11.537 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.873 -11.449 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.853 -12.452 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.844 -13.543 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.704 -12.628 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.882 -14.829 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.888 -13.665 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.993 -14.551 5.793 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.524 -8.813 1.847 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.603 -8.199 0.535 1.00 0.00 C ATOM 1048 C LYS A 74 -10.497 -6.956 0.591 1.00 0.00 C ATOM 1049 O LYS A 74 -11.715 -7.032 0.393 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.135 -9.235 -0.461 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.019 -8.777 -1.922 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.069 -9.473 -2.797 1.00 0.00 C ATOM 1053 CE LYS A 74 -10.932 -11.000 -2.808 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.113 -11.623 -3.428 1.00 0.00 N ATOM 0 H LYS A 74 -10.002 -9.713 1.893 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.615 -7.874 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.586 -10.168 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.180 -9.446 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.149 -7.696 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.021 -8.999 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.064 -9.207 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.986 -9.100 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.034 -11.286 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.814 -11.367 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.986 -12.655 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.960 -11.394 -2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.228 -11.261 -4.396 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.893 -5.805 0.882 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.561 -4.516 0.860 1.00 0.00 C ATOM 1070 C PHE A 75 -10.075 -3.781 -0.391 1.00 0.00 C ATOM 1071 O PHE A 75 -8.935 -3.979 -0.808 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.250 -3.697 2.124 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.884 -4.091 3.454 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.972 -5.433 3.873 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.290 -3.072 4.338 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.444 -5.748 5.159 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.783 -3.387 5.615 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.847 -4.726 6.034 1.00 0.00 C ATOM 0 H PHE A 75 -8.909 -5.747 1.143 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.642 -4.654 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.169 -3.709 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.534 -2.664 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.675 -6.225 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.222 -2.039 4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.497 -6.779 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.113 -2.599 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.204 -4.968 7.024 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.929 -2.956 -1.002 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.597 -2.153 -2.168 1.00 0.00 C ATOM 1090 C LYS A 76 -10.893 -0.687 -1.874 1.00 0.00 C ATOM 1091 O LYS A 76 -11.799 -0.360 -1.106 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.343 -2.623 -3.420 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.003 -4.076 -3.767 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.448 -4.374 -5.204 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.277 -5.855 -5.557 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.264 -6.703 -4.865 1.00 0.00 N ATOM 0 H LYS A 76 -11.891 -2.829 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.534 -2.273 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.417 -2.528 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.087 -1.978 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.931 -4.245 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.500 -4.753 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.493 -4.089 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.868 -3.766 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.378 -5.985 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.271 -6.178 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.062 -7.704 -5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.208 -6.535 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.220 -6.469 -5.202 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.110 0.194 -2.491 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.184 1.628 -2.280 1.00 0.00 C ATOM 1112 C CYS A 77 -11.155 2.290 -3.245 1.00 0.00 C ATOM 1113 O CYS A 77 -10.889 2.345 -4.442 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.776 2.210 -2.354 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.967 2.094 -0.749 1.00 0.00 S ATOM 0 H CYS A 77 -9.394 -0.079 -3.164 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.586 1.833 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.192 1.674 -3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.822 3.252 -2.671 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.277 2.801 -2.731 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.300 3.456 -3.532 1.00 0.00 C ATOM 1122 C LEU A 78 -13.162 4.974 -3.448 1.00 0.00 C ATOM 1123 O LEU A 78 -12.842 5.534 -2.397 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.699 3.010 -3.105 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.870 1.482 -3.119 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -16.312 1.133 -2.738 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.542 0.898 -4.501 1.00 0.00 C ATOM 0 H LEU A 78 -12.498 2.768 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.157 3.159 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.904 3.384 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.437 3.459 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.177 1.049 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.439 0.050 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.528 1.516 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.997 1.584 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.672 -0.184 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.211 1.329 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.510 1.134 -4.760 1.00 0.00 H new ATOM 1139 N SER A 79 -13.396 5.609 -4.596 1.00 0.00 N ATOM 1140 CA SER A 79 -13.266 7.033 -4.856 1.00 0.00 C ATOM 1141 C SER A 79 -14.195 7.896 -4.004 1.00 0.00 C ATOM 1142 O SER A 79 -15.328 7.502 -3.730 1.00 0.00 O ATOM 1143 CB SER A 79 -13.576 7.267 -6.337 1.00 0.00 C ATOM 1144 OG SER A 79 -12.977 6.248 -7.122 1.00 0.00 O ATOM 0 H SER A 79 -13.703 5.100 -5.425 1.00 0.00 H new ATOM 0 HA SER A 79 -12.250 7.329 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.654 7.274 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.202 8.243 -6.646 1.00 0.00 H new ATOM 0 HG SER A 79 -13.180 6.402 -8.068 1.00 0.00 H new ATOM 1150 N LYS A 80 -13.713 9.085 -3.641 1.00 0.00 N ATOM 1151 CA LYS A 80 -14.396 10.142 -2.925 1.00 0.00 C ATOM 1152 C LYS A 80 -13.622 11.411 -3.292 1.00 0.00 C ATOM 1153 O LYS A 80 -12.502 11.248 -3.839 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.369 9.909 -1.407 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.213 8.706 -0.971 1.00 0.00 C ATOM 1156 CD LYS A 80 -15.357 8.681 0.555 1.00 0.00 C ATOM 1157 CE LYS A 80 -16.242 7.515 1.011 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.637 7.673 0.564 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.137 12.512 -3.017 1.00 0.00 O ATOM 0 H LYS A 80 -12.753 9.347 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.451 10.198 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.338 9.758 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.732 10.803 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.198 8.757 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.746 7.783 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.372 8.594 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.787 9.622 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.840 6.580 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.216 7.444 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.239 6.983 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.965 8.636 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.693 7.512 -0.462 1.00 0.00 H new TER 1173 LYS A 80