USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 557 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 33 TYR OH : rot -178:sc= 2.28 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -175:sc= 2.29 (180deg=1.04) USER MOD Set 2.1: A 1 ALA N :NH3+ -161:sc= 0.762 (180deg=0.0299) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -0.464 K(o=0.3,f=-10!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -59:sc= 1.18 USER MOD Single : A 11 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0.905! (180deg=-0.323!) USER MOD Single : A 15 SER OG : rot 66:sc= 1.2 USER MOD Single : A 24 CYS SG : rot 132:sc= -0.268 USER MOD Single : A 26 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=-0.37) USER MOD Single : A 31 GLN : amide:sc= 0.189 X(o=0.19,f=-0.062) USER MOD Single : A 32 TYR OH : rot -24:sc= 1.23 USER MOD Single : A 52 SER OG : rot -42:sc= 1.14 USER MOD Single : A 55 TYR OH : rot 64:sc= 1.24 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 3.47 (180deg=3.21) USER MOD Single : A 66 SER OG : rot 98:sc= 1.2 USER MOD Single : A 67 TYR OH : rot 169:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= 0.298 X(o=0.3,f=-0.2) USER MOD Single : A 71 ASN : amide:sc= -2.31 K(o=-2.3,f=-5.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 2.3 (180deg=2.3) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 2.3 (180deg=2.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.064 -4.368 9.067 1.00 0.00 N ATOM 2 CA ALA A 1 -1.181 -3.539 8.234 1.00 0.00 C ATOM 3 C ALA A 1 -1.970 -3.076 7.025 1.00 0.00 C ATOM 4 O ALA A 1 -2.821 -3.830 6.552 1.00 0.00 O ATOM 5 CB ALA A 1 0.054 -4.312 7.802 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.675 -4.430 10.030 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.011 -3.939 9.103 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.132 -5.322 8.659 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.836 -2.681 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.687 -3.672 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.609 -4.633 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.247 -5.186 7.225 1.00 0.00 H new ATOM 12 N TYR A 2 -1.710 -1.859 6.551 1.00 0.00 N ATOM 13 CA TYR A 2 -2.389 -1.269 5.412 1.00 0.00 C ATOM 14 C TYR A 2 -1.557 -1.556 4.172 1.00 0.00 C ATOM 15 O TYR A 2 -0.354 -1.307 4.169 1.00 0.00 O ATOM 16 CB TYR A 2 -2.566 0.227 5.649 1.00 0.00 C ATOM 17 CG TYR A 2 -3.616 0.552 6.691 1.00 0.00 C ATOM 18 CD1 TYR A 2 -3.300 0.455 8.057 1.00 0.00 C ATOM 19 CD2 TYR A 2 -4.920 0.909 6.294 1.00 0.00 C ATOM 20 CE1 TYR A 2 -4.264 0.775 9.024 1.00 0.00 C ATOM 21 CE2 TYR A 2 -5.881 1.233 7.266 1.00 0.00 C ATOM 22 CZ TYR A 2 -5.534 1.224 8.627 1.00 0.00 C ATOM 23 OH TYR A 2 -6.422 1.670 9.557 1.00 0.00 O ATOM 0 H TYR A 2 -1.005 -1.247 6.961 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.383 -1.695 5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.612 0.653 5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.838 0.706 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -2.315 0.134 8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.180 0.933 5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.030 0.676 10.074 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.887 1.489 6.967 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.251 1.944 9.112 1.00 0.00 H new ATOM 33 N VAL A 3 -2.181 -2.145 3.154 1.00 0.00 N ATOM 34 CA VAL A 3 -1.489 -2.758 2.035 1.00 0.00 C ATOM 35 C VAL A 3 -2.102 -2.267 0.732 1.00 0.00 C ATOM 36 O VAL A 3 -3.213 -1.745 0.696 1.00 0.00 O ATOM 37 CB VAL A 3 -1.551 -4.290 2.158 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.310 -4.925 1.515 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.674 -4.784 3.609 1.00 0.00 C ATOM 0 H VAL A 3 -3.197 -2.208 3.088 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.437 -2.471 2.041 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.456 -4.597 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.366 -6.009 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.268 -4.654 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.586 -4.563 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.713 -5.873 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.811 -4.445 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.585 -4.384 4.054 1.00 0.00 H new ATOM 49 N ILE A 4 -1.345 -2.403 -0.349 1.00 0.00 N ATOM 50 CA ILE A 4 -1.745 -1.887 -1.639 1.00 0.00 C ATOM 51 C ILE A 4 -2.978 -2.620 -2.173 1.00 0.00 C ATOM 52 O ILE A 4 -3.217 -3.773 -1.813 1.00 0.00 O ATOM 53 CB ILE A 4 -0.541 -2.052 -2.588 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.484 -0.943 -3.642 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.539 -3.417 -3.264 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.054 0.377 -3.004 1.00 0.00 C ATOM 0 H ILE A 4 -0.440 -2.874 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.026 -0.837 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 4 0.351 -1.974 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.216 -1.218 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.462 -0.827 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.325 -3.495 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.487 -4.198 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.453 -3.536 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.018 1.155 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.770 0.658 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.934 0.261 -2.558 1.00 0.00 H new ATOM 68 N THR A 5 -3.687 -2.001 -3.120 1.00 0.00 N ATOM 69 CA THR A 5 -4.462 -2.736 -4.098 1.00 0.00 C ATOM 70 C THR A 5 -4.332 -2.066 -5.462 1.00 0.00 C ATOM 71 O THR A 5 -3.987 -0.886 -5.562 1.00 0.00 O ATOM 72 CB THR A 5 -5.945 -2.811 -3.712 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.502 -1.526 -3.568 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.194 -3.607 -2.437 1.00 0.00 C ATOM 0 H THR A 5 -3.734 -0.987 -3.223 1.00 0.00 H new ATOM 0 HA THR A 5 -4.070 -3.752 -4.135 1.00 0.00 H new ATOM 0 HB THR A 5 -6.432 -3.336 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.008 -1.030 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.262 -3.622 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.837 -4.628 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.662 -3.142 -1.608 1.00 0.00 H new ATOM 82 N GLU A 6 -4.699 -2.851 -6.477 1.00 0.00 N ATOM 83 CA GLU A 6 -5.009 -2.485 -7.847 1.00 0.00 C ATOM 84 C GLU A 6 -5.078 -0.965 -8.123 1.00 0.00 C ATOM 85 O GLU A 6 -4.221 -0.466 -8.845 1.00 0.00 O ATOM 86 CB GLU A 6 -6.230 -3.303 -8.266 1.00 0.00 C ATOM 87 CG GLU A 6 -6.634 -3.188 -9.738 1.00 0.00 C ATOM 88 CD GLU A 6 -5.784 -4.060 -10.660 1.00 0.00 C ATOM 89 OE1 GLU A 6 -4.852 -4.722 -10.147 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.086 -4.049 -11.871 1.00 0.00 O ATOM 0 H GLU A 6 -4.794 -3.857 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.174 -2.744 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.035 -4.352 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.077 -2.998 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.682 -3.470 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.550 -2.148 -10.052 1.00 0.00 H new ATOM 97 N PRO A 7 -6.048 -0.197 -7.583 1.00 0.00 N ATOM 98 CA PRO A 7 -6.209 1.218 -7.910 1.00 0.00 C ATOM 99 C PRO A 7 -4.992 2.137 -7.700 1.00 0.00 C ATOM 100 O PRO A 7 -5.033 3.265 -8.186 1.00 0.00 O ATOM 101 CB PRO A 7 -7.447 1.713 -7.148 1.00 0.00 C ATOM 102 CG PRO A 7 -7.774 0.601 -6.152 1.00 0.00 C ATOM 103 CD PRO A 7 -7.194 -0.646 -6.808 1.00 0.00 C ATOM 0 HA PRO A 7 -6.328 1.280 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.244 2.654 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.281 1.893 -7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.322 0.789 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.848 0.508 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.895 -1.378 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.932 -1.129 -7.448 1.00 0.00 H new ATOM 111 N CYS A 8 -3.916 1.715 -7.021 1.00 0.00 N ATOM 112 CA CYS A 8 -2.673 2.493 -7.032 1.00 0.00 C ATOM 113 C CYS A 8 -2.089 2.589 -8.454 1.00 0.00 C ATOM 114 O CYS A 8 -1.491 3.602 -8.828 1.00 0.00 O ATOM 115 CB CYS A 8 -1.657 1.868 -6.107 1.00 0.00 C ATOM 116 SG CYS A 8 0.000 2.625 -6.171 1.00 0.00 S ATOM 0 H CYS A 8 -3.881 0.858 -6.469 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.907 3.500 -6.686 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.030 1.930 -5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.567 0.809 -6.350 1.00 0.00 H new ATOM 121 N ILE A 9 -2.239 1.513 -9.237 1.00 0.00 N ATOM 122 CA ILE A 9 -1.543 1.310 -10.498 1.00 0.00 C ATOM 123 C ILE A 9 -1.689 2.532 -11.398 1.00 0.00 C ATOM 124 O ILE A 9 -2.800 2.959 -11.711 1.00 0.00 O ATOM 125 CB ILE A 9 -2.017 0.019 -11.174 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.523 -1.147 -10.315 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.398 -0.117 -12.575 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.232 -2.461 -10.571 1.00 0.00 C ATOM 0 H ILE A 9 -2.866 0.744 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.478 1.191 -10.300 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.103 0.027 -11.270 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.456 -1.284 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.642 -0.883 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.747 -1.040 -13.039 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.697 0.733 -13.189 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.311 -0.141 -12.492 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.818 -3.231 -9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.296 -2.346 -10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.092 -2.753 -11.612 1.00 0.00 H new ATOM 140 N GLY A 10 -0.548 3.093 -11.789 1.00 0.00 N ATOM 141 CA GLY A 10 -0.436 4.393 -12.412 1.00 0.00 C ATOM 142 C GLY A 10 0.464 5.294 -11.569 1.00 0.00 C ATOM 143 O GLY A 10 1.067 6.214 -12.112 1.00 0.00 O ATOM 0 H GLY A 10 0.354 2.631 -11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.026 4.291 -13.417 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.423 4.843 -12.515 1.00 0.00 H new ATOM 147 N THR A 11 0.541 5.031 -10.255 1.00 0.00 N ATOM 148 CA THR A 11 1.498 5.616 -9.321 1.00 0.00 C ATOM 149 C THR A 11 1.636 7.133 -9.488 1.00 0.00 C ATOM 150 O THR A 11 2.547 7.634 -10.145 1.00 0.00 O ATOM 151 CB THR A 11 2.841 4.885 -9.412 1.00 0.00 C ATOM 152 OG1 THR A 11 2.623 3.491 -9.282 1.00 0.00 O ATOM 153 CG2 THR A 11 3.754 5.327 -8.262 1.00 0.00 C ATOM 0 H THR A 11 -0.094 4.374 -9.801 1.00 0.00 H new ATOM 0 HA THR A 11 1.110 5.476 -8.312 1.00 0.00 H new ATOM 0 HB THR A 11 3.304 5.117 -10.371 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.381 3.115 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.707 4.803 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.925 6.402 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.280 5.090 -7.309 1.00 0.00 H new ATOM 161 N LYS A 12 0.708 7.866 -8.877 1.00 0.00 N ATOM 162 CA LYS A 12 0.611 9.307 -9.033 1.00 0.00 C ATOM 163 C LYS A 12 1.670 10.067 -8.223 1.00 0.00 C ATOM 164 O LYS A 12 2.443 9.478 -7.476 1.00 0.00 O ATOM 165 CB LYS A 12 -0.834 9.737 -8.748 1.00 0.00 C ATOM 166 CG LYS A 12 -1.308 9.447 -7.321 1.00 0.00 C ATOM 167 CD LYS A 12 -0.988 10.601 -6.361 1.00 0.00 C ATOM 168 CE LYS A 12 -1.612 10.287 -5.003 1.00 0.00 C ATOM 169 NZ LYS A 12 -0.728 9.461 -4.167 1.00 0.00 N ATOM 0 H LYS A 12 0.001 7.471 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 12 0.843 9.579 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.927 10.806 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.497 9.229 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.383 9.268 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.834 8.534 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.091 10.725 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.382 11.539 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.836 11.218 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.559 9.769 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.303 8.841 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.117 8.880 -4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.138 10.077 -3.571 1.00 0.00 H new ATOM 183 N ASP A 13 1.677 11.392 -8.384 1.00 0.00 N ATOM 184 CA ASP A 13 2.651 12.359 -7.888 1.00 0.00 C ATOM 185 C ASP A 13 2.862 12.328 -6.364 1.00 0.00 C ATOM 186 O ASP A 13 3.741 11.616 -5.887 1.00 0.00 O ATOM 187 CB ASP A 13 2.224 13.748 -8.395 1.00 0.00 C ATOM 188 CG ASP A 13 0.739 13.986 -8.156 1.00 0.00 C ATOM 189 OD1 ASP A 13 -0.049 13.413 -8.941 1.00 0.00 O ATOM 190 OD2 ASP A 13 0.430 14.616 -7.123 1.00 0.00 O ATOM 0 H ASP A 13 0.935 11.853 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 13 3.633 12.092 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.805 14.518 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.442 13.833 -9.460 1.00 0.00 H new ATOM 195 N ALA A 14 2.124 13.138 -5.595 1.00 0.00 N ATOM 196 CA ALA A 14 2.298 13.258 -4.152 1.00 0.00 C ATOM 197 C ALA A 14 1.989 11.905 -3.522 1.00 0.00 C ATOM 198 O ALA A 14 0.846 11.457 -3.592 1.00 0.00 O ATOM 199 CB ALA A 14 1.358 14.342 -3.618 1.00 0.00 C ATOM 0 H ALA A 14 1.383 13.732 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 14 3.320 13.544 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.485 14.435 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.593 15.294 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.326 14.070 -3.840 1.00 0.00 H new ATOM 205 N SER A 15 2.987 11.209 -2.981 1.00 0.00 N ATOM 206 CA SER A 15 2.904 9.779 -2.727 1.00 0.00 C ATOM 207 C SER A 15 2.948 9.449 -1.238 1.00 0.00 C ATOM 208 O SER A 15 3.669 10.070 -0.460 1.00 0.00 O ATOM 209 CB SER A 15 4.005 9.050 -3.499 1.00 0.00 C ATOM 210 OG SER A 15 3.695 9.037 -4.873 1.00 0.00 O ATOM 0 H SER A 15 3.877 11.626 -2.707 1.00 0.00 H new ATOM 0 HA SER A 15 1.935 9.430 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.963 9.544 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.106 8.029 -3.130 1.00 0.00 H new ATOM 0 HG SER A 15 3.712 9.953 -5.221 1.00 0.00 H new ATOM 216 N CYS A 16 2.190 8.410 -0.884 1.00 0.00 N ATOM 217 CA CYS A 16 2.144 7.746 0.408 1.00 0.00 C ATOM 218 C CYS A 16 3.521 7.691 1.092 1.00 0.00 C ATOM 219 O CYS A 16 3.631 7.987 2.280 1.00 0.00 O ATOM 220 CB CYS A 16 1.508 6.381 0.237 1.00 0.00 C ATOM 221 SG CYS A 16 2.129 5.304 -1.095 1.00 0.00 S ATOM 0 H CYS A 16 1.545 7.982 -1.548 1.00 0.00 H new ATOM 0 HA CYS A 16 1.525 8.331 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.616 5.843 1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.440 6.529 0.075 1.00 0.00 H new ATOM 226 N VAL A 17 4.582 7.378 0.341 1.00 0.00 N ATOM 227 CA VAL A 17 5.960 7.382 0.837 1.00 0.00 C ATOM 228 C VAL A 17 6.272 8.572 1.758 1.00 0.00 C ATOM 229 O VAL A 17 6.897 8.402 2.801 1.00 0.00 O ATOM 230 CB VAL A 17 6.951 7.285 -0.339 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.955 8.536 -1.227 1.00 0.00 C ATOM 232 CG2 VAL A 17 8.377 7.024 0.159 1.00 0.00 C ATOM 0 H VAL A 17 4.506 7.112 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 17 6.078 6.498 1.464 1.00 0.00 H new ATOM 0 HB VAL A 17 6.607 6.445 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.673 8.405 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.960 8.688 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.235 9.405 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.054 6.960 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.690 7.840 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.403 6.086 0.714 1.00 0.00 H new ATOM 242 N GLU A 18 5.824 9.777 1.394 1.00 0.00 N ATOM 243 CA GLU A 18 6.155 11.000 2.110 1.00 0.00 C ATOM 244 C GLU A 18 5.674 10.980 3.566 1.00 0.00 C ATOM 245 O GLU A 18 6.224 11.705 4.392 1.00 0.00 O ATOM 246 CB GLU A 18 5.549 12.193 1.357 1.00 0.00 C ATOM 247 CG GLU A 18 6.160 12.365 -0.041 1.00 0.00 C ATOM 248 CD GLU A 18 5.319 13.293 -0.908 1.00 0.00 C ATOM 249 OE1 GLU A 18 5.117 14.446 -0.474 1.00 0.00 O ATOM 250 OE2 GLU A 18 4.884 12.826 -1.985 1.00 0.00 O ATOM 0 H GLU A 18 5.217 9.926 0.588 1.00 0.00 H new ATOM 0 HA GLU A 18 7.241 11.089 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.472 12.055 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.706 13.104 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.170 12.765 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.245 11.392 -0.524 1.00 0.00 H new ATOM 257 N VAL A 19 4.621 10.212 3.878 1.00 0.00 N ATOM 258 CA VAL A 19 3.899 10.352 5.140 1.00 0.00 C ATOM 259 C VAL A 19 4.230 9.243 6.145 1.00 0.00 C ATOM 260 O VAL A 19 4.001 9.422 7.339 1.00 0.00 O ATOM 261 CB VAL A 19 2.383 10.491 4.880 1.00 0.00 C ATOM 262 CG1 VAL A 19 2.107 11.388 3.663 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.651 9.153 4.722 1.00 0.00 C ATOM 0 H VAL A 19 4.252 9.484 3.266 1.00 0.00 H new ATOM 0 HA VAL A 19 4.241 11.272 5.615 1.00 0.00 H new ATOM 0 HB VAL A 19 1.982 10.960 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.031 11.467 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.521 12.380 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.573 10.954 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.592 9.337 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.072 8.605 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.768 8.565 5.632 1.00 0.00 H new ATOM 273 N CYS A 20 4.715 8.083 5.685 1.00 0.00 N ATOM 274 CA CYS A 20 4.764 6.885 6.517 1.00 0.00 C ATOM 275 C CYS A 20 5.847 6.969 7.607 1.00 0.00 C ATOM 276 O CYS A 20 7.033 7.045 7.282 1.00 0.00 O ATOM 277 CB CYS A 20 4.933 5.664 5.651 1.00 0.00 C ATOM 278 SG CYS A 20 5.072 4.073 6.515 1.00 0.00 S ATOM 0 H CYS A 20 5.078 7.954 4.741 1.00 0.00 H new ATOM 0 HA CYS A 20 3.815 6.806 7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.085 5.609 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.825 5.800 5.040 1.00 0.00 H new ATOM 283 N PRO A 21 5.478 6.916 8.904 1.00 0.00 N ATOM 284 CA PRO A 21 6.419 7.004 10.016 1.00 0.00 C ATOM 285 C PRO A 21 7.606 6.046 9.900 1.00 0.00 C ATOM 286 O PRO A 21 8.715 6.391 10.301 1.00 0.00 O ATOM 287 CB PRO A 21 5.618 6.687 11.282 1.00 0.00 C ATOM 288 CG PRO A 21 4.167 6.978 10.912 1.00 0.00 C ATOM 289 CD PRO A 21 4.116 6.781 9.399 1.00 0.00 C ATOM 0 HA PRO A 21 6.857 8.002 10.028 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.748 5.647 11.582 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.943 7.304 12.120 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.483 6.302 11.424 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.881 7.992 11.191 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.712 5.799 9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.463 7.521 8.936 1.00 0.00 H new ATOM 297 N VAL A 22 7.359 4.827 9.407 1.00 0.00 N ATOM 298 CA VAL A 22 8.364 3.774 9.324 1.00 0.00 C ATOM 299 C VAL A 22 8.962 3.659 7.919 1.00 0.00 C ATOM 300 O VAL A 22 9.729 2.728 7.687 1.00 0.00 O ATOM 301 CB VAL A 22 7.779 2.437 9.823 1.00 0.00 C ATOM 302 CG1 VAL A 22 7.479 2.511 11.324 1.00 0.00 C ATOM 303 CG2 VAL A 22 6.510 2.015 9.069 1.00 0.00 C ATOM 0 H VAL A 22 6.445 4.546 9.052 1.00 0.00 H new ATOM 0 HA VAL A 22 9.192 4.042 9.980 1.00 0.00 H new ATOM 0 HB VAL A 22 8.539 1.680 9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.067 1.560 11.660 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.399 2.720 11.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.757 3.306 11.512 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.148 1.067 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.742 2.778 9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.738 1.900 8.009 1.00 0.00 H new ATOM 313 N ASP A 23 8.621 4.583 7.006 1.00 0.00 N ATOM 314 CA ASP A 23 9.051 4.598 5.609 1.00 0.00 C ATOM 315 C ASP A 23 9.226 3.196 5.016 1.00 0.00 C ATOM 316 O ASP A 23 10.331 2.766 4.686 1.00 0.00 O ATOM 317 CB ASP A 23 10.257 5.496 5.409 1.00 0.00 C ATOM 318 CG ASP A 23 10.668 5.609 3.943 1.00 0.00 C ATOM 319 OD1 ASP A 23 9.799 5.358 3.078 1.00 0.00 O ATOM 320 OD2 ASP A 23 11.844 5.969 3.717 1.00 0.00 O ATOM 0 H ASP A 23 8.013 5.369 7.236 1.00 0.00 H new ATOM 0 HA ASP A 23 8.238 5.038 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.034 6.490 5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.095 5.108 5.988 1.00 0.00 H new ATOM 325 N CYS A 24 8.111 2.466 4.929 1.00 0.00 N ATOM 326 CA CYS A 24 8.094 1.097 4.423 1.00 0.00 C ATOM 327 C CYS A 24 7.345 0.999 3.096 1.00 0.00 C ATOM 328 O CYS A 24 6.934 -0.090 2.690 1.00 0.00 O ATOM 329 CB CYS A 24 7.534 0.142 5.478 1.00 0.00 C ATOM 330 SG CYS A 24 5.742 0.313 5.652 1.00 0.00 S ATOM 0 H CYS A 24 7.193 2.812 5.209 1.00 0.00 H new ATOM 0 HA CYS A 24 9.121 0.794 4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.777 -0.885 5.205 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.013 0.338 6.437 1.00 0.00 H new ATOM 0 HG CYS A 24 5.190 -0.864 5.637 1.00 0.00 H new ATOM 336 N ILE A 25 7.198 2.134 2.403 1.00 0.00 N ATOM 337 CA ILE A 25 6.677 2.187 1.047 1.00 0.00 C ATOM 338 C ILE A 25 7.876 1.964 0.135 1.00 0.00 C ATOM 339 O ILE A 25 8.889 2.650 0.256 1.00 0.00 O ATOM 340 CB ILE A 25 5.980 3.529 0.754 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.619 3.676 1.457 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.698 3.679 -0.750 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.673 3.571 2.980 1.00 0.00 C ATOM 0 H ILE A 25 7.443 3.050 2.780 1.00 0.00 H new ATOM 0 HA ILE A 25 5.912 1.427 0.888 1.00 0.00 H new ATOM 0 HB ILE A 25 6.669 4.288 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.189 4.641 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.944 2.909 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.205 4.634 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.637 3.643 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.051 2.867 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.669 3.686 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.070 2.596 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.318 4.355 3.376 1.00 0.00 H new ATOM 355 N HIS A 26 7.780 0.986 -0.758 1.00 0.00 N ATOM 356 CA HIS A 26 8.848 0.586 -1.644 1.00 0.00 C ATOM 357 C HIS A 26 8.267 0.430 -3.043 1.00 0.00 C ATOM 358 O HIS A 26 7.054 0.344 -3.188 1.00 0.00 O ATOM 359 CB HIS A 26 9.355 -0.741 -1.114 1.00 0.00 C ATOM 360 CG HIS A 26 9.921 -0.666 0.282 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.833 0.257 0.742 1.00 0.00 N ATOM 362 CD2 HIS A 26 9.496 -1.400 1.358 1.00 0.00 C ATOM 363 CE1 HIS A 26 10.976 0.059 2.064 1.00 0.00 C ATOM 364 NE2 HIS A 26 10.189 -0.945 2.483 1.00 0.00 N ATOM 0 H HIS A 26 6.929 0.438 -0.883 1.00 0.00 H new ATOM 0 HA HIS A 26 9.661 1.310 -1.690 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.537 -1.462 -1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.124 -1.120 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.758 -2.188 1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.634 0.630 2.702 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.112 -1.305 3.434 1.00 0.00 H new ATOM 372 N GLU A 27 9.100 0.406 -4.079 1.00 0.00 N ATOM 373 CA GLU A 27 8.601 0.469 -5.443 1.00 0.00 C ATOM 374 C GLU A 27 8.367 -0.926 -6.027 1.00 0.00 C ATOM 375 O GLU A 27 8.987 -1.900 -5.602 1.00 0.00 O ATOM 376 CB GLU A 27 9.584 1.267 -6.309 1.00 0.00 C ATOM 377 CG GLU A 27 10.045 2.563 -5.627 1.00 0.00 C ATOM 378 CD GLU A 27 10.883 3.401 -6.582 1.00 0.00 C ATOM 379 OE1 GLU A 27 12.046 3.002 -6.802 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.341 4.410 -7.081 1.00 0.00 O ATOM 0 H GLU A 27 10.115 0.344 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 27 7.635 0.974 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.453 0.648 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.112 1.509 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.178 3.135 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.627 2.325 -4.737 1.00 0.00 H new ATOM 387 N GLY A 28 7.485 -0.998 -7.028 1.00 0.00 N ATOM 388 CA GLY A 28 7.287 -2.164 -7.872 1.00 0.00 C ATOM 389 C GLY A 28 7.505 -1.801 -9.335 1.00 0.00 C ATOM 390 O GLY A 28 8.220 -0.850 -9.640 1.00 0.00 O ATOM 0 H GLY A 28 6.874 -0.219 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.978 -2.955 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.279 -2.555 -7.734 1.00 0.00 H new ATOM 394 N GLU A 29 6.883 -2.569 -10.232 1.00 0.00 N ATOM 395 CA GLU A 29 6.962 -2.424 -11.668 1.00 0.00 C ATOM 396 C GLU A 29 6.526 -1.010 -12.080 1.00 0.00 C ATOM 397 O GLU A 29 7.338 -0.212 -12.540 1.00 0.00 O ATOM 398 CB GLU A 29 6.099 -3.532 -12.295 1.00 0.00 C ATOM 399 CG GLU A 29 6.533 -4.951 -11.875 1.00 0.00 C ATOM 400 CD GLU A 29 5.722 -5.532 -10.722 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.654 -4.884 -9.654 1.00 0.00 O ATOM 402 OE2 GLU A 29 5.136 -6.621 -10.900 1.00 0.00 O ATOM 0 H GLU A 29 6.283 -3.345 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 29 7.984 -2.537 -12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.058 -3.378 -12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.147 -3.451 -13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.449 -5.615 -12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.585 -4.929 -11.591 1.00 0.00 H new ATOM 409 N ASP A 30 5.239 -0.716 -11.883 1.00 0.00 N ATOM 410 CA ASP A 30 4.693 0.624 -11.750 1.00 0.00 C ATOM 411 C ASP A 30 4.314 0.782 -10.280 1.00 0.00 C ATOM 412 O ASP A 30 4.957 1.506 -9.524 1.00 0.00 O ATOM 413 CB ASP A 30 3.470 0.748 -12.669 1.00 0.00 C ATOM 414 CG ASP A 30 2.731 2.066 -12.448 1.00 0.00 C ATOM 415 OD1 ASP A 30 1.949 2.134 -11.470 1.00 0.00 O ATOM 416 OD2 ASP A 30 2.942 2.985 -13.261 1.00 0.00 O ATOM 0 H ASP A 30 4.524 -1.440 -11.810 1.00 0.00 H new ATOM 0 HA ASP A 30 5.399 1.403 -12.038 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.788 0.679 -13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.791 -0.085 -12.487 1.00 0.00 H new ATOM 421 N GLN A 31 3.292 0.014 -9.898 1.00 0.00 N ATOM 422 CA GLN A 31 2.652 -0.011 -8.601 1.00 0.00 C ATOM 423 C GLN A 31 3.670 -0.026 -7.475 1.00 0.00 C ATOM 424 O GLN A 31 4.382 -1.014 -7.300 1.00 0.00 O ATOM 425 CB GLN A 31 1.784 -1.267 -8.546 1.00 0.00 C ATOM 426 CG GLN A 31 0.858 -1.297 -7.325 1.00 0.00 C ATOM 427 CD GLN A 31 -0.212 -2.381 -7.390 1.00 0.00 C ATOM 428 OE1 GLN A 31 -1.268 -2.270 -6.777 1.00 0.00 O ATOM 429 NE2 GLN A 31 0.057 -3.463 -8.112 1.00 0.00 N ATOM 0 H GLN A 31 2.866 -0.652 -10.542 1.00 0.00 H new ATOM 0 HA GLN A 31 2.050 0.888 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.183 -1.328 -9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.427 -2.147 -8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.459 -1.447 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.373 -0.326 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.942 -3.534 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.622 -4.223 -8.164 1.00 0.00 H new ATOM 438 N TYR A 32 3.707 1.034 -6.675 1.00 0.00 N ATOM 439 CA TYR A 32 4.426 0.962 -5.420 1.00 0.00 C ATOM 440 C TYR A 32 3.719 -0.018 -4.486 1.00 0.00 C ATOM 441 O TYR A 32 2.532 -0.294 -4.631 1.00 0.00 O ATOM 442 CB TYR A 32 4.515 2.335 -4.761 1.00 0.00 C ATOM 443 CG TYR A 32 5.431 3.371 -5.394 1.00 0.00 C ATOM 444 CD1 TYR A 32 6.159 3.112 -6.576 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.616 4.594 -4.723 1.00 0.00 C ATOM 446 CE1 TYR A 32 7.119 4.033 -7.026 1.00 0.00 C ATOM 447 CE2 TYR A 32 6.564 5.521 -5.187 1.00 0.00 C ATOM 448 CZ TYR A 32 7.344 5.223 -6.314 1.00 0.00 C ATOM 449 OH TYR A 32 8.363 6.053 -6.666 1.00 0.00 O ATOM 0 H TYR A 32 3.258 1.929 -6.870 1.00 0.00 H new ATOM 0 HA TYR A 32 5.440 0.615 -5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.510 2.755 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.836 2.190 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.977 2.205 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.026 4.821 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.686 3.826 -7.922 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.692 6.464 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 32 9.052 5.542 -7.140 1.00 0.00 H new ATOM 459 N TYR A 33 4.468 -0.536 -3.521 1.00 0.00 N ATOM 460 CA TYR A 33 4.019 -1.469 -2.504 1.00 0.00 C ATOM 461 C TYR A 33 4.388 -0.934 -1.124 1.00 0.00 C ATOM 462 O TYR A 33 5.105 0.057 -0.998 1.00 0.00 O ATOM 463 CB TYR A 33 4.750 -2.798 -2.724 1.00 0.00 C ATOM 464 CG TYR A 33 4.496 -3.415 -4.080 1.00 0.00 C ATOM 465 CD1 TYR A 33 3.185 -3.457 -4.575 1.00 0.00 C ATOM 466 CD2 TYR A 33 5.557 -3.852 -4.891 1.00 0.00 C ATOM 467 CE1 TYR A 33 2.918 -3.947 -5.855 1.00 0.00 C ATOM 468 CE2 TYR A 33 5.289 -4.331 -6.183 1.00 0.00 C ATOM 469 CZ TYR A 33 3.977 -4.331 -6.683 1.00 0.00 C ATOM 470 OH TYR A 33 3.711 -4.745 -7.954 1.00 0.00 O ATOM 0 H TYR A 33 5.456 -0.302 -3.425 1.00 0.00 H new ATOM 0 HA TYR A 33 2.939 -1.602 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.821 -2.637 -2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.444 -3.503 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.371 -3.106 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.572 -3.820 -4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.899 -4.029 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.097 -4.702 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 33 4.546 -5.008 -8.394 1.00 0.00 H new ATOM 480 N ILE A 34 3.928 -1.635 -0.091 1.00 0.00 N ATOM 481 CA ILE A 34 4.168 -1.331 1.315 1.00 0.00 C ATOM 482 C ILE A 34 4.585 -2.634 1.977 1.00 0.00 C ATOM 483 O ILE A 34 3.884 -3.625 1.789 1.00 0.00 O ATOM 484 CB ILE A 34 2.859 -0.831 1.959 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.464 0.543 1.400 1.00 0.00 C ATOM 486 CG2 ILE A 34 2.954 -0.732 3.492 1.00 0.00 C ATOM 487 CD1 ILE A 34 0.956 0.651 1.184 1.00 0.00 C ATOM 0 H ILE A 34 3.352 -2.467 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 34 4.933 -0.563 1.430 1.00 0.00 H new ATOM 0 HB ILE A 34 2.098 -1.571 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.790 1.323 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.980 0.714 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.005 -0.375 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.177 -1.715 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.747 -0.036 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.715 1.637 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.634 -0.113 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.441 0.506 2.134 1.00 0.00 H new ATOM 499 N ASP A 35 5.666 -2.667 2.763 1.00 0.00 N ATOM 500 CA ASP A 35 5.926 -3.838 3.590 1.00 0.00 C ATOM 501 C ASP A 35 4.864 -3.917 4.697 1.00 0.00 C ATOM 502 O ASP A 35 4.822 -3.027 5.555 1.00 0.00 O ATOM 503 CB ASP A 35 7.336 -3.828 4.184 1.00 0.00 C ATOM 504 CG ASP A 35 7.573 -5.124 4.948 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.805 -5.362 5.908 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.479 -5.876 4.536 1.00 0.00 O ATOM 0 H ASP A 35 6.354 -1.918 2.841 1.00 0.00 H new ATOM 0 HA ASP A 35 5.866 -4.724 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.076 -3.720 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.456 -2.973 4.850 1.00 0.00 H new ATOM 511 N PRO A 36 3.996 -4.945 4.699 1.00 0.00 N ATOM 512 CA PRO A 36 2.883 -5.008 5.623 1.00 0.00 C ATOM 513 C PRO A 36 3.257 -5.742 6.912 1.00 0.00 C ATOM 514 O PRO A 36 2.395 -5.933 7.765 1.00 0.00 O ATOM 515 CB PRO A 36 1.814 -5.784 4.857 1.00 0.00 C ATOM 516 CG PRO A 36 2.643 -6.826 4.105 1.00 0.00 C ATOM 517 CD PRO A 36 3.961 -6.101 3.808 1.00 0.00 C ATOM 0 HA PRO A 36 2.554 -4.017 5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.089 -6.247 5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.254 -5.142 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.805 -7.719 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.147 -7.146 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.814 -6.756 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.008 -5.790 2.764 1.00 0.00 H new ATOM 525 N ASP A 37 4.500 -6.201 7.071 1.00 0.00 N ATOM 526 CA ASP A 37 4.978 -6.776 8.301 1.00 0.00 C ATOM 527 C ASP A 37 5.627 -5.666 9.135 1.00 0.00 C ATOM 528 O ASP A 37 5.550 -5.675 10.362 1.00 0.00 O ATOM 529 CB ASP A 37 5.914 -7.912 7.936 1.00 0.00 C ATOM 530 CG ASP A 37 5.183 -9.226 7.682 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.405 -9.662 8.558 1.00 0.00 O ATOM 532 OD2 ASP A 37 5.318 -9.776 6.570 1.00 0.00 O ATOM 0 H ASP A 37 5.202 -6.177 6.331 1.00 0.00 H new ATOM 0 HA ASP A 37 4.184 -7.196 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.479 -7.638 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.636 -8.054 8.740 1.00 0.00 H new ATOM 537 N VAL A 38 6.232 -4.680 8.464 1.00 0.00 N ATOM 538 CA VAL A 38 6.792 -3.493 9.080 1.00 0.00 C ATOM 539 C VAL A 38 5.683 -2.519 9.476 1.00 0.00 C ATOM 540 O VAL A 38 5.743 -1.948 10.565 1.00 0.00 O ATOM 541 CB VAL A 38 7.785 -2.841 8.105 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.156 -1.426 8.557 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.051 -3.697 7.972 1.00 0.00 C ATOM 0 H VAL A 38 6.344 -4.695 7.450 1.00 0.00 H new ATOM 0 HA VAL A 38 7.322 -3.770 9.991 1.00 0.00 H new ATOM 0 HB VAL A 38 7.298 -2.774 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.860 -0.990 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.257 -0.811 8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.615 -1.468 9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.742 -3.219 7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.527 -3.796 8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.784 -4.685 7.596 1.00 0.00 H new ATOM 553 N CYS A 39 4.719 -2.262 8.579 1.00 0.00 N ATOM 554 CA CYS A 39 3.672 -1.272 8.831 1.00 0.00 C ATOM 555 C CYS A 39 3.026 -1.480 10.210 1.00 0.00 C ATOM 556 O CYS A 39 2.519 -2.556 10.520 1.00 0.00 O ATOM 557 CB CYS A 39 2.626 -1.333 7.753 1.00 0.00 C ATOM 558 SG CYS A 39 1.142 -0.324 8.084 1.00 0.00 S ATOM 0 H CYS A 39 4.647 -2.728 7.675 1.00 0.00 H new ATOM 0 HA CYS A 39 4.135 -0.285 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.071 -1.006 6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.322 -2.371 7.617 1.00 0.00 H new ATOM 563 N ILE A 40 3.053 -0.436 11.042 1.00 0.00 N ATOM 564 CA ILE A 40 2.662 -0.508 12.446 1.00 0.00 C ATOM 565 C ILE A 40 1.146 -0.396 12.673 1.00 0.00 C ATOM 566 O ILE A 40 0.722 -0.295 13.821 1.00 0.00 O ATOM 567 CB ILE A 40 3.420 0.571 13.232 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.170 1.979 12.659 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.923 0.268 13.266 1.00 0.00 C ATOM 570 CD1 ILE A 40 2.727 2.932 13.764 1.00 0.00 C ATOM 0 H ILE A 40 3.352 0.495 10.752 1.00 0.00 H new ATOM 0 HA ILE A 40 2.932 -1.500 12.809 1.00 0.00 H new ATOM 0 HB ILE A 40 3.036 0.555 14.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.079 2.354 12.189 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.406 1.932 11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.438 1.047 13.828 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.089 -0.697 13.746 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.311 0.238 12.248 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.555 3.922 13.343 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.805 2.564 14.214 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.504 2.992 14.526 1.00 0.00 H new ATOM 582 N ASP A 41 0.346 -0.391 11.599 1.00 0.00 N ATOM 583 CA ASP A 41 -1.093 -0.147 11.604 1.00 0.00 C ATOM 584 C ASP A 41 -1.378 1.230 12.187 1.00 0.00 C ATOM 585 O ASP A 41 -1.663 1.381 13.373 1.00 0.00 O ATOM 586 CB ASP A 41 -1.900 -1.248 12.305 1.00 0.00 C ATOM 587 CG ASP A 41 -2.199 -2.405 11.379 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.808 -2.208 10.303 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.802 -3.553 11.643 1.00 0.00 O ATOM 0 H ASP A 41 0.707 -0.566 10.661 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.431 -0.172 10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.345 -1.610 13.170 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.835 -0.831 12.678 1.00 0.00 H new ATOM 594 N CYS A 42 -1.301 2.234 11.315 1.00 0.00 N ATOM 595 CA CYS A 42 -1.519 3.620 11.669 1.00 0.00 C ATOM 596 C CYS A 42 -2.559 4.212 10.711 1.00 0.00 C ATOM 597 O CYS A 42 -3.410 3.479 10.210 1.00 0.00 O ATOM 598 CB CYS A 42 -0.175 4.315 11.768 1.00 0.00 C ATOM 599 SG CYS A 42 0.590 5.109 10.332 1.00 0.00 S ATOM 0 H CYS A 42 -1.081 2.096 10.329 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.959 3.759 12.656 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.270 5.080 12.539 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.537 3.577 12.138 1.00 0.00 H new ATOM 604 N GLY A 43 -2.517 5.517 10.463 1.00 0.00 N ATOM 605 CA GLY A 43 -3.291 6.187 9.437 1.00 0.00 C ATOM 606 C GLY A 43 -2.465 7.383 8.974 1.00 0.00 C ATOM 607 O GLY A 43 -1.448 7.684 9.600 1.00 0.00 O ATOM 0 H GLY A 43 -1.921 6.154 10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.496 5.513 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.255 6.511 9.829 1.00 0.00 H new ATOM 611 N ALA A 44 -2.901 8.033 7.894 1.00 0.00 N ATOM 612 CA ALA A 44 -2.289 9.117 7.128 1.00 0.00 C ATOM 613 C ALA A 44 -2.201 8.681 5.663 1.00 0.00 C ATOM 614 O ALA A 44 -2.639 9.393 4.756 1.00 0.00 O ATOM 615 CB ALA A 44 -0.913 9.549 7.656 1.00 0.00 C ATOM 0 H ALA A 44 -3.802 7.780 7.487 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.922 9.998 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.523 10.357 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.010 9.895 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.228 8.702 7.622 1.00 0.00 H new ATOM 621 N CYS A 45 -1.613 7.504 5.440 1.00 0.00 N ATOM 622 CA CYS A 45 -1.356 6.958 4.118 1.00 0.00 C ATOM 623 C CYS A 45 -2.670 6.642 3.387 1.00 0.00 C ATOM 624 O CYS A 45 -2.841 7.027 2.232 1.00 0.00 O ATOM 625 CB CYS A 45 -0.396 5.795 4.245 1.00 0.00 C ATOM 626 SG CYS A 45 -0.991 4.364 5.183 1.00 0.00 S ATOM 0 H CYS A 45 -1.297 6.895 6.195 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.867 7.694 3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.129 5.460 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.519 6.156 4.715 1.00 0.00 H new ATOM 631 N GLU A 46 -3.636 6.017 4.062 1.00 0.00 N ATOM 632 CA GLU A 46 -4.952 5.762 3.491 1.00 0.00 C ATOM 633 C GLU A 46 -5.652 7.077 3.126 1.00 0.00 C ATOM 634 O GLU A 46 -6.248 7.190 2.058 1.00 0.00 O ATOM 635 CB GLU A 46 -5.808 4.855 4.400 1.00 0.00 C ATOM 636 CG GLU A 46 -5.482 4.835 5.905 1.00 0.00 C ATOM 637 CD GLU A 46 -5.680 6.181 6.580 1.00 0.00 C ATOM 638 OE1 GLU A 46 -4.807 7.046 6.353 1.00 0.00 O ATOM 639 OE2 GLU A 46 -6.677 6.335 7.312 1.00 0.00 O ATOM 0 H GLU A 46 -3.525 5.676 5.017 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.817 5.207 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.850 5.155 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.728 3.834 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.112 4.094 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.449 4.516 6.042 1.00 0.00 H new ATOM 646 N ALA A 47 -5.574 8.079 4.004 1.00 0.00 N ATOM 647 CA ALA A 47 -6.182 9.381 3.787 1.00 0.00 C ATOM 648 C ALA A 47 -5.604 10.050 2.539 1.00 0.00 C ATOM 649 O ALA A 47 -6.353 10.566 1.712 1.00 0.00 O ATOM 650 CB ALA A 47 -6.003 10.260 5.029 1.00 0.00 C ATOM 0 H ALA A 47 -5.080 8.002 4.893 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.250 9.246 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.462 11.233 4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.479 9.782 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.940 10.391 5.232 1.00 0.00 H new ATOM 656 N VAL A 48 -4.273 10.075 2.408 1.00 0.00 N ATOM 657 CA VAL A 48 -3.616 10.723 1.288 1.00 0.00 C ATOM 658 C VAL A 48 -3.810 9.958 -0.031 1.00 0.00 C ATOM 659 O VAL A 48 -3.763 10.558 -1.105 1.00 0.00 O ATOM 660 CB VAL A 48 -2.148 10.991 1.662 1.00 0.00 C ATOM 661 CG1 VAL A 48 -1.152 9.926 1.187 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.732 12.363 1.151 1.00 0.00 C ATOM 0 H VAL A 48 -3.632 9.647 3.076 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.086 11.687 1.092 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.109 10.951 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.145 10.204 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.414 8.962 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.188 9.853 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.692 12.550 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.841 12.396 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.365 13.127 1.602 1.00 0.00 H new ATOM 672 N CYS A 49 -4.007 8.637 0.031 1.00 0.00 N ATOM 673 CA CYS A 49 -4.153 7.811 -1.158 1.00 0.00 C ATOM 674 C CYS A 49 -5.539 8.008 -1.806 1.00 0.00 C ATOM 675 O CYS A 49 -6.556 7.986 -1.109 1.00 0.00 O ATOM 676 CB CYS A 49 -3.936 6.373 -0.776 1.00 0.00 C ATOM 677 SG CYS A 49 -3.816 5.240 -2.162 1.00 0.00 S ATOM 0 H CYS A 49 -4.069 8.118 0.907 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.410 8.108 -1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.022 6.302 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.757 6.054 -0.133 1.00 0.00 H new ATOM 682 N PRO A 50 -5.630 8.215 -3.132 1.00 0.00 N ATOM 683 CA PRO A 50 -6.885 8.484 -3.811 1.00 0.00 C ATOM 684 C PRO A 50 -7.834 7.303 -3.633 1.00 0.00 C ATOM 685 O PRO A 50 -7.540 6.184 -4.047 1.00 0.00 O ATOM 686 CB PRO A 50 -6.544 8.757 -5.281 1.00 0.00 C ATOM 687 CG PRO A 50 -5.163 8.134 -5.461 1.00 0.00 C ATOM 688 CD PRO A 50 -4.536 8.266 -4.072 1.00 0.00 C ATOM 0 HA PRO A 50 -7.400 9.350 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.276 8.306 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.531 9.825 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.229 7.092 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.580 8.659 -6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.826 7.460 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.987 9.203 -3.980 1.00 0.00 H new ATOM 696 N VAL A 51 -8.971 7.566 -2.983 1.00 0.00 N ATOM 697 CA VAL A 51 -9.982 6.571 -2.658 1.00 0.00 C ATOM 698 C VAL A 51 -9.383 5.448 -1.790 1.00 0.00 C ATOM 699 O VAL A 51 -9.910 4.337 -1.757 1.00 0.00 O ATOM 700 CB VAL A 51 -10.679 6.054 -3.939 1.00 0.00 C ATOM 701 CG1 VAL A 51 -12.068 5.474 -3.630 1.00 0.00 C ATOM 702 CG2 VAL A 51 -10.886 7.166 -4.982 1.00 0.00 C ATOM 0 H VAL A 51 -9.215 8.503 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.762 7.038 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.015 5.286 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.528 5.121 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.968 4.642 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.694 6.247 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.379 6.752 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.507 7.954 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.920 7.581 -5.268 1.00 0.00 H new ATOM 712 N SER A 52 -8.303 5.739 -1.051 1.00 0.00 N ATOM 713 CA SER A 52 -7.645 4.783 -0.176 1.00 0.00 C ATOM 714 C SER A 52 -7.341 3.482 -0.922 1.00 0.00 C ATOM 715 O SER A 52 -7.727 2.413 -0.464 1.00 0.00 O ATOM 716 CB SER A 52 -8.501 4.571 1.077 1.00 0.00 C ATOM 717 OG SER A 52 -7.827 3.832 2.077 1.00 0.00 O ATOM 0 H SER A 52 -7.863 6.659 -1.051 1.00 0.00 H new ATOM 0 HA SER A 52 -6.681 5.176 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.793 5.540 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.418 4.051 0.802 1.00 0.00 H new ATOM 0 HG SER A 52 -7.335 3.093 1.662 1.00 0.00 H new ATOM 723 N ALA A 53 -6.640 3.547 -2.062 1.00 0.00 N ATOM 724 CA ALA A 53 -6.172 2.334 -2.734 1.00 0.00 C ATOM 725 C ALA A 53 -5.354 1.471 -1.766 1.00 0.00 C ATOM 726 O ALA A 53 -5.393 0.243 -1.822 1.00 0.00 O ATOM 727 CB ALA A 53 -5.365 2.670 -3.991 1.00 0.00 C ATOM 0 H ALA A 53 -6.388 4.417 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.044 1.762 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.032 1.748 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.990 3.231 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.498 3.271 -3.717 1.00 0.00 H new ATOM 733 N ILE A 54 -4.638 2.121 -0.847 1.00 0.00 N ATOM 734 CA ILE A 54 -4.130 1.484 0.353 1.00 0.00 C ATOM 735 C ILE A 54 -5.325 0.999 1.183 1.00 0.00 C ATOM 736 O ILE A 54 -6.052 1.814 1.748 1.00 0.00 O ATOM 737 CB ILE A 54 -3.256 2.491 1.120 1.00 0.00 C ATOM 738 CG1 ILE A 54 -2.005 2.793 0.287 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.869 1.941 2.495 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.094 3.848 0.919 1.00 0.00 C ATOM 0 H ILE A 54 -4.397 3.109 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.507 0.621 0.117 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.819 3.410 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.439 1.872 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.310 3.133 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.251 2.671 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.771 1.746 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.309 1.014 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.228 4.013 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.644 4.782 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.760 3.501 1.897 1.00 0.00 H new ATOM 752 N TYR A 55 -5.519 -0.318 1.275 1.00 0.00 N ATOM 753 CA TYR A 55 -6.568 -0.945 2.057 1.00 0.00 C ATOM 754 C TYR A 55 -5.968 -1.965 3.016 1.00 0.00 C ATOM 755 O TYR A 55 -4.932 -2.569 2.755 1.00 0.00 O ATOM 756 CB TYR A 55 -7.585 -1.609 1.132 1.00 0.00 C ATOM 757 CG TYR A 55 -8.507 -0.687 0.356 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.350 0.217 1.031 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.629 -0.839 -1.037 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.243 1.027 0.305 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.520 -0.031 -1.763 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.272 0.949 -1.099 1.00 0.00 C ATOM 763 OH TYR A 55 -11.028 1.822 -1.821 1.00 0.00 O ATOM 0 H TYR A 55 -4.928 -0.992 0.789 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.080 -0.181 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.042 -2.227 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.201 -2.281 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.311 0.289 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.035 -1.580 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.903 1.706 0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.626 -0.164 -2.830 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.684 2.731 -1.698 1.00 0.00 H new ATOM 773 N HIS A 56 -6.627 -2.159 4.155 1.00 0.00 N ATOM 774 CA HIS A 56 -6.207 -3.147 5.127 1.00 0.00 C ATOM 775 C HIS A 56 -6.524 -4.545 4.591 1.00 0.00 C ATOM 776 O HIS A 56 -7.539 -4.712 3.921 1.00 0.00 O ATOM 777 CB HIS A 56 -6.937 -2.850 6.441 1.00 0.00 C ATOM 778 CG HIS A 56 -6.358 -3.590 7.618 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.858 -4.732 8.202 1.00 0.00 N ATOM 780 CD2 HIS A 56 -5.163 -3.308 8.221 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.955 -5.148 9.108 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.887 -4.330 9.136 1.00 0.00 N ATOM 0 H HIS A 56 -7.461 -1.636 4.423 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.133 -3.106 5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.897 -1.779 6.638 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.989 -3.116 6.334 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.749 -5.180 7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.541 -2.447 8.025 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.072 -6.023 9.731 1.00 0.00 H new ATOM 790 N GLU A 57 -5.692 -5.545 4.908 1.00 0.00 N ATOM 791 CA GLU A 57 -5.886 -6.960 4.561 1.00 0.00 C ATOM 792 C GLU A 57 -7.365 -7.387 4.671 1.00 0.00 C ATOM 793 O GLU A 57 -7.920 -8.029 3.780 1.00 0.00 O ATOM 794 CB GLU A 57 -4.930 -7.795 5.439 1.00 0.00 C ATOM 795 CG GLU A 57 -5.344 -9.242 5.738 1.00 0.00 C ATOM 796 CD GLU A 57 -5.646 -10.067 4.496 1.00 0.00 C ATOM 797 OE1 GLU A 57 -4.766 -10.128 3.610 1.00 0.00 O ATOM 798 OE2 GLU A 57 -6.770 -10.614 4.447 1.00 0.00 O ATOM 0 H GLU A 57 -4.832 -5.385 5.433 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.639 -7.133 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.955 -7.815 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.802 -7.276 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.547 -9.729 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.226 -9.232 6.379 1.00 0.00 H new ATOM 805 N ASP A 58 -8.001 -6.963 5.762 1.00 0.00 N ATOM 806 CA ASP A 58 -9.389 -7.243 6.100 1.00 0.00 C ATOM 807 C ASP A 58 -10.330 -6.734 5.006 1.00 0.00 C ATOM 808 O ASP A 58 -11.177 -7.463 4.500 1.00 0.00 O ATOM 809 CB ASP A 58 -9.698 -6.570 7.443 1.00 0.00 C ATOM 810 CG ASP A 58 -11.122 -6.864 7.888 1.00 0.00 C ATOM 811 OD1 ASP A 58 -11.336 -7.989 8.384 1.00 0.00 O ATOM 812 OD2 ASP A 58 -11.955 -5.946 7.744 1.00 0.00 O ATOM 0 H ASP A 58 -7.537 -6.388 6.465 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.542 -8.319 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.997 -6.923 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.556 -5.493 7.355 1.00 0.00 H new ATOM 817 N PHE A 59 -10.151 -5.469 4.624 1.00 0.00 N ATOM 818 CA PHE A 59 -10.911 -4.795 3.605 1.00 0.00 C ATOM 819 C PHE A 59 -10.535 -5.337 2.227 1.00 0.00 C ATOM 820 O PHE A 59 -11.346 -5.314 1.304 1.00 0.00 O ATOM 821 CB PHE A 59 -10.541 -3.314 3.688 1.00 0.00 C ATOM 822 CG PHE A 59 -10.754 -2.576 5.001 1.00 0.00 C ATOM 823 CD1 PHE A 59 -11.421 -3.171 6.090 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.255 -1.266 5.130 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.491 -2.507 7.325 1.00 0.00 C ATOM 826 CE2 PHE A 59 -10.357 -0.586 6.356 1.00 0.00 C ATOM 827 CZ PHE A 59 -10.956 -1.214 7.461 1.00 0.00 C ATOM 0 H PHE A 59 -9.438 -4.872 5.043 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.980 -4.948 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.487 -3.222 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -11.108 -2.789 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.880 -4.142 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.792 -0.781 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.956 -2.990 8.172 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.975 0.420 6.449 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.005 -0.705 8.412 1.00 0.00 H new ATOM 837 N VAL A 60 -9.278 -5.758 2.070 1.00 0.00 N ATOM 838 CA VAL A 60 -8.762 -6.199 0.787 1.00 0.00 C ATOM 839 C VAL A 60 -9.502 -7.456 0.334 1.00 0.00 C ATOM 840 O VAL A 60 -9.555 -8.430 1.087 1.00 0.00 O ATOM 841 CB VAL A 60 -7.245 -6.411 0.881 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.668 -7.370 -0.164 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.620 -5.046 0.650 1.00 0.00 C ATOM 0 H VAL A 60 -8.598 -5.800 2.829 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.935 -5.433 0.031 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.028 -6.856 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.591 -7.459 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.131 -8.351 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.871 -6.984 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.535 -5.129 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.907 -4.676 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.970 -4.352 1.414 1.00 0.00 H new ATOM 853 N PRO A 61 -10.046 -7.457 -0.894 1.00 0.00 N ATOM 854 CA PRO A 61 -10.727 -8.617 -1.430 1.00 0.00 C ATOM 855 C PRO A 61 -9.729 -9.752 -1.632 1.00 0.00 C ATOM 856 O PRO A 61 -8.563 -9.520 -1.939 1.00 0.00 O ATOM 857 CB PRO A 61 -11.345 -8.174 -2.759 1.00 0.00 C ATOM 858 CG PRO A 61 -10.565 -6.920 -3.167 1.00 0.00 C ATOM 859 CD PRO A 61 -9.973 -6.375 -1.865 1.00 0.00 C ATOM 0 HA PRO A 61 -11.499 -8.987 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.257 -8.955 -3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.407 -7.958 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.782 -7.160 -3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.218 -6.187 -3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.942 -6.054 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.531 -5.505 -1.519 1.00 0.00 H new ATOM 867 N GLU A 62 -10.202 -10.986 -1.494 1.00 0.00 N ATOM 868 CA GLU A 62 -9.480 -12.218 -1.641 1.00 0.00 C ATOM 869 C GLU A 62 -8.671 -12.273 -2.937 1.00 0.00 C ATOM 870 O GLU A 62 -7.536 -12.740 -2.942 1.00 0.00 O ATOM 871 CB GLU A 62 -10.559 -13.291 -1.540 1.00 0.00 C ATOM 872 CG GLU A 62 -10.760 -13.708 -0.072 1.00 0.00 C ATOM 873 CD GLU A 62 -11.031 -12.499 0.816 1.00 0.00 C ATOM 874 OE1 GLU A 62 -11.935 -11.727 0.423 1.00 0.00 O ATOM 875 OE2 GLU A 62 -10.260 -12.294 1.781 1.00 0.00 O ATOM 0 H GLU A 62 -11.181 -11.149 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.714 -12.351 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.496 -12.914 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.276 -14.158 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.593 -14.408 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.873 -14.232 0.284 1.00 0.00 H new ATOM 882 N GLU A 63 -9.245 -11.741 -4.017 1.00 0.00 N ATOM 883 CA GLU A 63 -8.529 -11.463 -5.263 1.00 0.00 C ATOM 884 C GLU A 63 -7.163 -10.824 -4.936 1.00 0.00 C ATOM 885 O GLU A 63 -6.091 -11.357 -5.216 1.00 0.00 O ATOM 886 CB GLU A 63 -9.413 -10.572 -6.154 1.00 0.00 C ATOM 887 CG GLU A 63 -9.313 -10.804 -7.672 1.00 0.00 C ATOM 888 CD GLU A 63 -7.938 -10.544 -8.273 1.00 0.00 C ATOM 889 OE1 GLU A 63 -7.036 -11.357 -7.990 1.00 0.00 O ATOM 890 OE2 GLU A 63 -7.814 -9.543 -9.014 1.00 0.00 O ATOM 0 H GLU A 63 -10.232 -11.488 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.325 -12.380 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.451 -10.714 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.162 -9.531 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.598 -11.834 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.039 -10.162 -8.171 1.00 0.00 H new ATOM 897 N TRP A 64 -7.208 -9.688 -4.239 1.00 0.00 N ATOM 898 CA TRP A 64 -6.061 -8.839 -3.957 1.00 0.00 C ATOM 899 C TRP A 64 -5.317 -9.227 -2.685 1.00 0.00 C ATOM 900 O TRP A 64 -4.224 -8.716 -2.454 1.00 0.00 O ATOM 901 CB TRP A 64 -6.490 -7.370 -4.101 1.00 0.00 C ATOM 902 CG TRP A 64 -6.967 -7.045 -5.496 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.693 -7.792 -6.593 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.871 -5.994 -5.973 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.408 -7.340 -7.668 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.135 -6.220 -7.360 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.529 -4.895 -5.378 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.005 -5.417 -8.110 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.349 -4.040 -6.141 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.604 -4.310 -7.497 1.00 0.00 C ATOM 0 H TRP A 64 -8.076 -9.326 -3.844 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.277 -8.998 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.286 -7.155 -3.388 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.651 -6.722 -3.847 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.007 -8.626 -6.615 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.401 -7.783 -8.587 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.402 -4.707 -4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.210 -5.649 -9.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.787 -3.167 -5.679 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.260 -3.666 -8.064 1.00 0.00 H new ATOM 921 N LYS A 65 -5.772 -10.254 -1.960 1.00 0.00 N ATOM 922 CA LYS A 65 -4.896 -10.983 -1.043 1.00 0.00 C ATOM 923 C LYS A 65 -3.595 -11.371 -1.766 1.00 0.00 C ATOM 924 O LYS A 65 -2.514 -11.353 -1.171 1.00 0.00 O ATOM 925 CB LYS A 65 -5.595 -12.240 -0.498 1.00 0.00 C ATOM 926 CG LYS A 65 -5.490 -12.405 1.025 1.00 0.00 C ATOM 927 CD LYS A 65 -6.843 -12.181 1.715 1.00 0.00 C ATOM 928 CE LYS A 65 -7.373 -10.751 1.525 1.00 0.00 C ATOM 929 NZ LYS A 65 -8.473 -10.452 2.463 1.00 0.00 N ATOM 0 H LYS A 65 -6.733 -10.595 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.660 -10.334 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.648 -12.207 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.165 -13.119 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.124 -13.405 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.760 -11.698 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.570 -12.890 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.742 -12.389 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.562 -10.038 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.723 -10.625 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.045 -9.668 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.072 -11.295 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.078 -10.182 3.387 1.00 0.00 H new ATOM 943 N SER A 66 -3.697 -11.688 -3.062 1.00 0.00 N ATOM 944 CA SER A 66 -2.552 -11.912 -3.929 1.00 0.00 C ATOM 945 C SER A 66 -1.544 -10.762 -3.836 1.00 0.00 C ATOM 946 O SER A 66 -0.351 -11.001 -3.665 1.00 0.00 O ATOM 947 CB SER A 66 -3.032 -12.111 -5.369 1.00 0.00 C ATOM 948 OG SER A 66 -4.026 -13.115 -5.402 1.00 0.00 O ATOM 0 H SER A 66 -4.593 -11.796 -3.537 1.00 0.00 H new ATOM 0 HA SER A 66 -2.036 -12.814 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.432 -11.176 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.194 -12.393 -6.007 1.00 0.00 H new ATOM 0 HG SER A 66 -4.913 -12.698 -5.407 1.00 0.00 H new ATOM 954 N TYR A 67 -2.003 -9.509 -3.932 1.00 0.00 N ATOM 955 CA TYR A 67 -1.108 -8.362 -3.847 1.00 0.00 C ATOM 956 C TYR A 67 -0.498 -8.248 -2.466 1.00 0.00 C ATOM 957 O TYR A 67 0.663 -7.871 -2.353 1.00 0.00 O ATOM 958 CB TYR A 67 -1.829 -7.038 -4.125 1.00 0.00 C ATOM 959 CG TYR A 67 -2.023 -6.715 -5.593 1.00 0.00 C ATOM 960 CD1 TYR A 67 -0.914 -6.668 -6.457 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.309 -6.458 -6.099 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.101 -6.434 -7.828 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.490 -6.173 -7.462 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.384 -6.155 -8.327 1.00 0.00 C ATOM 965 OH TYR A 67 -2.520 -5.803 -9.635 1.00 0.00 O ATOM 0 H TYR A 67 -2.985 -9.270 -4.068 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.342 -8.533 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.805 -7.064 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.265 -6.229 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.082 -6.812 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.162 -6.480 -5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.257 -6.469 -8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.479 -5.968 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.469 -5.807 -9.878 1.00 0.00 H new ATOM 975 N ILE A 68 -1.266 -8.511 -1.411 1.00 0.00 N ATOM 976 CA ILE A 68 -0.752 -8.365 -0.068 1.00 0.00 C ATOM 977 C ILE A 68 0.417 -9.337 0.090 1.00 0.00 C ATOM 978 O ILE A 68 1.512 -8.971 0.523 1.00 0.00 O ATOM 979 CB ILE A 68 -1.909 -8.625 0.915 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.913 -7.464 1.030 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.428 -8.974 2.325 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.016 -6.520 -0.175 1.00 0.00 C ATOM 0 H ILE A 68 -2.236 -8.823 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.374 -7.364 0.139 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.418 -9.482 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.901 -7.886 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.648 -6.871 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.289 -9.146 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.816 -9.875 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.836 -8.150 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.756 -5.747 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.047 -6.056 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.319 -7.086 -1.056 1.00 0.00 H new ATOM 994 N GLN A 69 0.192 -10.580 -0.334 1.00 0.00 N ATOM 995 CA GLN A 69 1.229 -11.584 -0.385 1.00 0.00 C ATOM 996 C GLN A 69 2.372 -11.136 -1.300 1.00 0.00 C ATOM 997 O GLN A 69 3.523 -11.341 -0.942 1.00 0.00 O ATOM 998 CB GLN A 69 0.607 -12.930 -0.767 1.00 0.00 C ATOM 999 CG GLN A 69 0.217 -13.732 0.486 1.00 0.00 C ATOM 1000 CD GLN A 69 -0.513 -12.920 1.562 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.005 -12.746 2.669 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -1.698 -12.401 1.257 1.00 0.00 N ATOM 0 H GLN A 69 -0.720 -10.910 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 69 1.685 -11.715 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.275 -12.765 -1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.314 -13.505 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.418 -14.565 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.119 -14.160 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.101 -12.558 0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.205 -11.846 1.947 1.00 0.00 H new ATOM 1011 N LYS A 70 2.091 -10.490 -2.435 1.00 0.00 N ATOM 1012 CA LYS A 70 3.123 -9.946 -3.313 1.00 0.00 C ATOM 1013 C LYS A 70 3.995 -8.914 -2.598 1.00 0.00 C ATOM 1014 O LYS A 70 5.219 -8.989 -2.677 1.00 0.00 O ATOM 1015 CB LYS A 70 2.494 -9.326 -4.571 1.00 0.00 C ATOM 1016 CG LYS A 70 3.528 -9.061 -5.673 1.00 0.00 C ATOM 1017 CD LYS A 70 2.877 -8.293 -6.832 1.00 0.00 C ATOM 1018 CE LYS A 70 3.898 -8.079 -7.958 1.00 0.00 C ATOM 1019 NZ LYS A 70 3.391 -7.190 -9.020 1.00 0.00 N ATOM 0 H LYS A 70 1.140 -10.331 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 70 3.765 -10.776 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.722 -9.993 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.003 -8.390 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.362 -8.487 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.935 -10.005 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.018 -8.847 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.506 -7.331 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.811 -7.656 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.163 -9.043 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.083 -7.146 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.489 -7.561 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.243 -6.236 -8.633 1.00 0.00 H new ATOM 1033 N ASN A 71 3.382 -7.936 -1.927 1.00 0.00 N ATOM 1034 CA ASN A 71 4.095 -6.933 -1.157 1.00 0.00 C ATOM 1035 C ASN A 71 5.002 -7.630 -0.157 1.00 0.00 C ATOM 1036 O ASN A 71 6.178 -7.300 -0.057 1.00 0.00 O ATOM 1037 CB ASN A 71 3.099 -6.038 -0.409 1.00 0.00 C ATOM 1038 CG ASN A 71 2.385 -5.000 -1.269 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.292 -3.831 -0.902 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.864 -5.397 -2.422 1.00 0.00 N ATOM 0 H ASN A 71 2.368 -7.823 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 71 4.689 -6.314 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.349 -6.672 0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.629 -5.521 0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.377 -4.728 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.950 -6.371 -2.712 1.00 0.00 H new ATOM 1047 N ARG A 72 4.468 -8.627 0.547 1.00 0.00 N ATOM 1048 CA ARG A 72 5.289 -9.469 1.395 1.00 0.00 C ATOM 1049 C ARG A 72 6.455 -10.046 0.593 1.00 0.00 C ATOM 1050 O ARG A 72 7.610 -9.863 0.964 1.00 0.00 O ATOM 1051 CB ARG A 72 4.419 -10.571 2.015 1.00 0.00 C ATOM 1052 CG ARG A 72 4.315 -10.342 3.519 1.00 0.00 C ATOM 1053 CD ARG A 72 3.203 -11.193 4.131 1.00 0.00 C ATOM 1054 NE ARG A 72 3.091 -10.861 5.557 1.00 0.00 N ATOM 1055 CZ ARG A 72 1.961 -10.686 6.256 1.00 0.00 C ATOM 1056 NH1 ARG A 72 0.777 -10.982 5.703 1.00 0.00 N ATOM 1057 NH2 ARG A 72 2.022 -10.213 7.503 1.00 0.00 N ATOM 0 H ARG A 72 3.476 -8.865 0.543 1.00 0.00 H new ATOM 0 HA ARG A 72 5.714 -8.878 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.426 -10.564 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.853 -11.550 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.266 -10.585 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.121 -9.288 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.258 -11.003 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.425 -12.253 4.005 1.00 0.00 H new ATOM 0 HE ARG A 72 3.966 -10.752 6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.735 -11.341 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.082 -10.848 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.925 -9.987 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.165 -10.078 8.040 1.00 0.00 H new ATOM 1071 N ASP A 73 6.152 -10.731 -0.513 1.00 0.00 N ATOM 1072 CA ASP A 73 7.125 -11.476 -1.295 1.00 0.00 C ATOM 1073 C ASP A 73 8.292 -10.606 -1.704 1.00 0.00 C ATOM 1074 O ASP A 73 9.452 -11.026 -1.676 1.00 0.00 O ATOM 1075 CB ASP A 73 6.476 -12.061 -2.546 1.00 0.00 C ATOM 1076 CG ASP A 73 7.215 -13.332 -2.919 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.119 -14.298 -2.127 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.958 -13.273 -3.923 1.00 0.00 O ATOM 0 H ASP A 73 5.206 -10.780 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 73 7.495 -12.283 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.423 -12.275 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.518 -11.344 -3.366 1.00 0.00 H new ATOM 1083 N PHE A 74 7.950 -9.392 -2.120 1.00 0.00 N ATOM 1084 CA PHE A 74 8.901 -8.360 -2.485 1.00 0.00 C ATOM 1085 C PHE A 74 10.015 -8.218 -1.444 1.00 0.00 C ATOM 1086 O PHE A 74 11.174 -8.067 -1.823 1.00 0.00 O ATOM 1087 CB PHE A 74 8.155 -7.045 -2.745 1.00 0.00 C ATOM 1088 CG PHE A 74 8.041 -6.721 -4.219 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.390 -7.625 -5.079 1.00 0.00 C ATOM 1090 CD2 PHE A 74 8.744 -5.627 -4.758 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.447 -7.440 -6.470 1.00 0.00 C ATOM 1092 CE2 PHE A 74 8.768 -5.422 -6.148 1.00 0.00 C ATOM 1093 CZ PHE A 74 8.112 -6.325 -7.005 1.00 0.00 C ATOM 0 H PHE A 74 6.979 -9.095 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 74 9.403 -8.649 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.156 -7.107 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.673 -6.231 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.846 -8.463 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.265 -4.945 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.979 -8.156 -7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.290 -4.571 -6.559 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.120 -6.161 -8.072 1.00 0.00 H new ATOM 1103 N PHE A 75 9.681 -8.314 -0.155 1.00 0.00 N ATOM 1104 CA PHE A 75 10.628 -8.189 0.944 1.00 0.00 C ATOM 1105 C PHE A 75 10.811 -9.518 1.684 1.00 0.00 C ATOM 1106 O PHE A 75 11.193 -9.521 2.852 1.00 0.00 O ATOM 1107 CB PHE A 75 10.117 -7.095 1.888 1.00 0.00 C ATOM 1108 CG PHE A 75 9.632 -5.848 1.169 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.486 -5.174 0.277 1.00 0.00 C ATOM 1110 CD2 PHE A 75 8.262 -5.536 1.191 1.00 0.00 C ATOM 1111 CE1 PHE A 75 9.951 -4.282 -0.668 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.726 -4.646 0.247 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.562 -4.068 -0.720 1.00 0.00 C ATOM 0 H PHE A 75 8.724 -8.484 0.155 1.00 0.00 H new ATOM 0 HA PHE A 75 11.609 -7.917 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.302 -7.498 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.915 -6.819 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.552 -5.342 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.620 -5.982 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.605 -3.762 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.673 -4.407 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.139 -3.458 -1.505 1.00 0.00 H new ATOM 1123 N LYS A 76 10.530 -10.646 1.023 1.00 0.00 N ATOM 1124 CA LYS A 76 10.511 -11.962 1.646 1.00 0.00 C ATOM 1125 C LYS A 76 10.980 -12.985 0.614 1.00 0.00 C ATOM 1126 O LYS A 76 10.199 -13.837 0.183 1.00 0.00 O ATOM 1127 CB LYS A 76 9.077 -12.247 2.118 1.00 0.00 C ATOM 1128 CG LYS A 76 8.890 -13.591 2.836 1.00 0.00 C ATOM 1129 CD LYS A 76 7.422 -14.059 2.803 1.00 0.00 C ATOM 1130 CE LYS A 76 6.795 -14.219 1.400 1.00 0.00 C ATOM 1131 NZ LYS A 76 7.705 -14.802 0.387 1.00 0.00 N ATOM 0 H LYS A 76 10.307 -10.665 0.028 1.00 0.00 H new ATOM 0 HA LYS A 76 11.175 -12.014 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.764 -11.446 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.413 -12.217 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.522 -14.345 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.219 -13.499 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.354 -15.016 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.821 -13.347 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.909 -14.849 1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.460 -13.242 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.209 -14.875 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.540 -14.192 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.006 -15.749 0.695 1.00 0.00 H new ATOM 1145 N LYS A 77 12.243 -12.903 0.216 1.00 0.00 N ATOM 1146 CA LYS A 77 12.923 -13.816 -0.661 1.00 0.00 C ATOM 1147 C LYS A 77 14.403 -13.638 -0.327 1.00 0.00 C ATOM 1148 O LYS A 77 14.706 -12.582 0.276 1.00 0.00 O ATOM 1149 CB LYS A 77 12.640 -13.407 -2.106 1.00 0.00 C ATOM 1150 CG LYS A 77 11.379 -14.078 -2.666 1.00 0.00 C ATOM 1151 CD LYS A 77 11.309 -13.968 -4.195 1.00 0.00 C ATOM 1152 CE LYS A 77 11.257 -12.520 -4.697 1.00 0.00 C ATOM 1153 NZ LYS A 77 10.100 -11.792 -4.145 1.00 0.00 N ATOM 1154 OXT LYS A 77 15.186 -14.548 -0.673 1.00 0.00 O ATOM 0 H LYS A 77 12.850 -12.143 0.524 1.00 0.00 H new ATOM 0 HA LYS A 77 12.607 -14.853 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.526 -12.324 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.495 -13.669 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.366 -15.129 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.495 -13.615 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.177 -14.464 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.427 -14.500 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.177 -12.005 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.205 -12.514 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.060 -10.839 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.225 -12.306 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.198 -11.717 -3.112 1.00 0.00 H new TER 1168 LYS A 77 HETATM 1169 FE1 F3S A 78 -0.241 4.254 -4.860 1.00 0.00 FE HETATM 1170 FE3 F3S A 78 -1.879 5.311 -3.166 1.00 0.00 FE HETATM 1171 FE4 F3S A 78 0.620 5.367 -2.641 1.00 0.00 FE HETATM 1172 S1 F3S A 78 -1.850 5.753 -5.221 1.00 0.00 S HETATM 1173 S2 F3S A 78 1.496 5.753 -4.645 1.00 0.00 S HETATM 1174 S3 F3S A 78 -0.579 3.638 -2.715 1.00 0.00 S HETATM 1175 S4 F3S A 78 -0.675 7.190 -2.430 1.00 0.00 S HETATM 1176 FE1 SF4 A 79 3.102 3.568 6.960 1.00 0.00 FE HETATM 1177 FE2 SF4 A 79 1.498 1.697 7.650 1.00 0.00 FE HETATM 1178 FE3 SF4 A 79 1.224 3.992 8.640 1.00 0.00 FE HETATM 1179 FE4 SF4 A 79 0.581 3.593 6.245 1.00 0.00 FE HETATM 1180 S1 SF4 A 79 -0.460 2.669 7.841 1.00 0.00 S HETATM 1181 S2 SF4 A 79 1.699 5.233 7.067 1.00 0.00 S HETATM 1182 S3 SF4 A 79 2.064 2.091 5.566 1.00 0.00 S HETATM 1183 S4 SF4 A 79 2.865 2.589 9.004 1.00 0.00 S