USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 398 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 45 SER OG : rot 120:sc= -0.448 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -154:sc= 0.605 (180deg=-0.625) USER MOD Set 2.1: A 30 GLN : amide:sc= 0 K(o=4.2,f=3.5) USER MOD Set 2.2: A 32 TYR OH : rot 151:sc= 2.43 USER MOD Set 2.3: A 40 LYS NZ :NH3+ 177:sc= 1.73 (180deg=0.5) USER MOD Single : A 1 GLN : amide:sc= -0.454 K(o=-0.45,f=-9.3!) USER MOD Single : A 1 GLN N :NH3+ 168:sc= 1.74 (180deg=0.819) USER MOD Single : A 4 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.45) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 128:sc= -1.16! (180deg=-1.86!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 18 THR OG1 : rot 112:sc= -0.195 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.835 K(o=-0.84,f=-5.1!) USER MOD Single : A 24 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.74) USER MOD Single : A 27 SER OG : rot -41:sc= 0.307 USER MOD Single : A 31 THR OG1 : rot 100:sc= 0.664 USER MOD Single : A 34 ASN : amide:sc= -2.73! C(o=-2.7!,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= 2.28 (180deg=0.897) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= -2.51! (180deg=-2.86!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 148:sc= 2.92 (180deg=1.77) USER MOD Single : A 53 HIS : no HE2:sc= 0.656 K(o=0.66,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= -2.89! (180deg=-5.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.150 3.622 4.398 1.00 0.00 N ATOM 2 CA GLN A 1 5.413 2.947 4.652 1.00 0.00 C ATOM 3 C GLN A 1 6.387 3.491 3.658 1.00 0.00 C ATOM 4 O GLN A 1 6.120 3.432 2.473 1.00 0.00 O ATOM 5 CB GLN A 1 5.294 1.402 4.535 1.00 0.00 C ATOM 6 CG GLN A 1 4.349 0.735 5.558 1.00 0.00 C ATOM 7 CD GLN A 1 2.861 0.811 5.211 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.405 1.727 4.537 1.00 0.00 O ATOM 9 NE2 GLN A 1 2.108 -0.095 5.717 1.00 0.00 N ATOM 0 H1 GLN A 1 3.389 3.142 4.920 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.215 4.611 4.713 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.941 3.596 3.380 1.00 0.00 H new ATOM 0 HA GLN A 1 5.741 3.133 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.949 1.155 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.288 0.968 4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.630 -0.313 5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 1 4.504 1.202 6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.517 -0.845 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.100 -0.065 5.563 1.00 0.00 H new ATOM 18 N GLY A 2 7.481 4.078 4.134 1.00 0.00 N ATOM 19 CA GLY A 2 8.396 4.781 3.221 1.00 0.00 C ATOM 20 C GLY A 2 7.768 6.110 2.854 1.00 0.00 C ATOM 21 O GLY A 2 8.077 6.729 1.856 1.00 0.00 O ATOM 0 H GLY A 2 7.756 4.086 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.364 4.936 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.573 4.184 2.326 1.00 0.00 H new ATOM 25 N GLY A 3 6.877 6.504 3.720 1.00 0.00 N ATOM 26 CA GLY A 3 6.053 7.649 3.588 1.00 0.00 C ATOM 27 C GLY A 3 4.958 7.453 4.584 1.00 0.00 C ATOM 28 O GLY A 3 4.738 6.290 5.019 1.00 0.00 O ATOM 0 H GLY A 3 6.705 5.995 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.612 8.563 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.656 7.735 2.577 1.00 0.00 H new ATOM 32 N GLN A 4 4.281 8.489 4.975 1.00 0.00 N ATOM 33 CA GLN A 4 3.306 8.351 6.019 1.00 0.00 C ATOM 34 C GLN A 4 2.023 7.722 5.493 1.00 0.00 C ATOM 35 O GLN A 4 1.656 7.899 4.342 1.00 0.00 O ATOM 36 CB GLN A 4 3.071 9.706 6.754 1.00 0.00 C ATOM 37 CG GLN A 4 2.179 10.747 6.048 1.00 0.00 C ATOM 38 CD GLN A 4 0.673 10.522 6.266 1.00 0.00 C ATOM 39 OE1 GLN A 4 -0.142 10.830 5.414 1.00 0.00 O ATOM 40 NE2 GLN A 4 0.298 10.032 7.433 1.00 0.00 N ATOM 0 H GLN A 4 4.382 9.430 4.594 1.00 0.00 H new ATOM 0 HA GLN A 4 3.697 7.663 6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.632 9.490 7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.043 10.164 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.444 11.742 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.389 10.727 4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.999 9.782 8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.693 9.904 7.638 1.00 0.00 H new ATOM 49 N VAL A 5 1.430 6.932 6.320 1.00 0.00 N ATOM 50 CA VAL A 5 0.160 6.333 6.093 1.00 0.00 C ATOM 51 C VAL A 5 -0.451 6.329 7.459 1.00 0.00 C ATOM 52 O VAL A 5 0.302 6.315 8.441 1.00 0.00 O ATOM 53 CB VAL A 5 0.301 4.869 5.556 1.00 0.00 C ATOM 54 CG1 VAL A 5 0.949 3.945 6.586 1.00 0.00 C ATOM 55 CG2 VAL A 5 -1.037 4.314 5.079 1.00 0.00 C ATOM 0 H VAL A 5 1.838 6.673 7.218 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.429 6.863 5.345 1.00 0.00 H new ATOM 0 HB VAL A 5 0.966 4.910 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.028 2.939 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.944 4.316 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.338 3.920 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.899 3.296 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.745 4.309 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.424 4.939 4.274 1.00 0.00 H new ATOM 65 N ASP A 6 -1.726 6.393 7.578 1.00 0.00 N ATOM 66 CA ASP A 6 -2.268 6.420 8.888 1.00 0.00 C ATOM 67 C ASP A 6 -2.517 5.033 9.408 1.00 0.00 C ATOM 68 O ASP A 6 -3.420 4.335 8.971 1.00 0.00 O ATOM 69 CB ASP A 6 -3.465 7.355 9.035 1.00 0.00 C ATOM 70 CG ASP A 6 -4.744 6.964 8.316 1.00 0.00 C ATOM 71 OD1 ASP A 6 -4.789 7.074 7.060 1.00 0.00 O ATOM 72 OD2 ASP A 6 -5.755 6.669 9.007 1.00 0.00 O ATOM 0 H ASP A 6 -2.398 6.427 6.811 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.508 6.861 9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.690 7.451 10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.168 8.342 8.682 1.00 0.00 H new ATOM 77 N CYS A 7 -1.634 4.618 10.305 1.00 0.00 N ATOM 78 CA CYS A 7 -1.657 3.346 10.953 1.00 0.00 C ATOM 79 C CYS A 7 -1.512 2.068 10.153 1.00 0.00 C ATOM 80 O CYS A 7 -0.895 1.137 10.661 1.00 0.00 O ATOM 81 CB CYS A 7 -2.434 3.323 12.261 1.00 0.00 C ATOM 82 SG CYS A 7 -4.068 4.174 12.287 1.00 0.00 S ATOM 0 H CYS A 7 -0.851 5.199 10.604 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.618 3.262 11.272 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.591 2.282 12.542 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.808 3.770 13.033 1.00 0.00 H new ATOM 87 N GLY A 8 -2.030 2.042 8.928 1.00 0.00 N ATOM 88 CA GLY A 8 -1.814 0.951 7.977 1.00 0.00 C ATOM 89 C GLY A 8 -2.087 -0.439 8.513 1.00 0.00 C ATOM 90 O GLY A 8 -3.203 -0.941 8.412 1.00 0.00 O ATOM 0 H GLY A 8 -2.621 2.788 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.449 1.118 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.781 0.992 7.630 1.00 0.00 H new ATOM 94 N GLU A 9 -1.061 -1.044 9.091 1.00 0.00 N ATOM 95 CA GLU A 9 -1.122 -2.372 9.606 1.00 0.00 C ATOM 96 C GLU A 9 -1.990 -2.416 10.853 1.00 0.00 C ATOM 97 O GLU A 9 -2.555 -3.453 11.187 1.00 0.00 O ATOM 98 CB GLU A 9 0.264 -2.888 9.879 1.00 0.00 C ATOM 99 CG GLU A 9 1.187 -3.028 8.665 1.00 0.00 C ATOM 100 CD GLU A 9 1.962 -1.758 8.333 1.00 0.00 C ATOM 101 OE1 GLU A 9 1.549 -0.660 8.736 1.00 0.00 O ATOM 102 OE2 GLU A 9 3.025 -1.859 7.656 1.00 0.00 O ATOM 0 H GLU A 9 -0.150 -0.602 9.210 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.579 -3.023 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.742 -2.222 10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.178 -3.863 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.894 -3.837 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.592 -3.316 7.799 1.00 0.00 H new ATOM 109 N PHE A 10 -2.006 -1.288 11.593 1.00 0.00 N ATOM 110 CA PHE A 10 -2.997 -0.995 12.615 1.00 0.00 C ATOM 111 C PHE A 10 -2.824 -1.813 13.881 1.00 0.00 C ATOM 112 O PHE A 10 -3.590 -1.702 14.817 1.00 0.00 O ATOM 113 CB PHE A 10 -4.337 -1.144 11.936 1.00 0.00 C ATOM 114 CG PHE A 10 -5.584 -0.630 12.594 1.00 0.00 C ATOM 115 CD1 PHE A 10 -5.852 0.726 12.635 1.00 0.00 C ATOM 116 CD2 PHE A 10 -6.531 -1.512 13.092 1.00 0.00 C ATOM 117 CE1 PHE A 10 -7.037 1.198 13.163 1.00 0.00 C ATOM 118 CE2 PHE A 10 -7.712 -1.048 13.631 1.00 0.00 C ATOM 119 CZ PHE A 10 -7.968 0.311 13.663 1.00 0.00 C ATOM 0 H PHE A 10 -1.311 -0.549 11.484 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.886 0.019 13.000 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.261 -0.657 10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.487 -2.207 11.749 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.125 1.425 12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.341 -2.575 13.057 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.235 2.259 13.185 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.436 -1.744 14.028 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.895 0.677 14.079 1.00 0.00 H new ATOM 129 N GLN A 11 -1.849 -2.648 13.863 1.00 0.00 N ATOM 130 CA GLN A 11 -1.417 -3.416 15.006 1.00 0.00 C ATOM 131 C GLN A 11 0.082 -3.333 15.122 1.00 0.00 C ATOM 132 O GLN A 11 0.698 -3.775 16.102 1.00 0.00 O ATOM 133 CB GLN A 11 -1.763 -4.814 14.754 1.00 0.00 C ATOM 134 CG GLN A 11 -3.193 -4.998 14.387 1.00 0.00 C ATOM 135 CD GLN A 11 -3.570 -6.434 14.098 1.00 0.00 C ATOM 136 OE1 GLN A 11 -2.762 -7.223 13.633 1.00 0.00 O ATOM 137 NE2 GLN A 11 -4.794 -6.792 14.391 1.00 0.00 N ATOM 0 H GLN A 11 -1.299 -2.833 13.024 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.887 -3.038 15.914 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.134 -5.200 13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.542 -5.404 15.644 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.817 -4.625 15.199 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.414 -4.391 13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.446 -6.110 14.778 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.096 -7.753 14.232 1.00 0.00 H new ATOM 146 N ASP A 12 0.626 -2.689 14.163 1.00 0.00 N ATOM 147 CA ASP A 12 2.038 -2.659 13.926 1.00 0.00 C ATOM 148 C ASP A 12 2.769 -1.695 14.866 1.00 0.00 C ATOM 149 O ASP A 12 2.297 -1.349 15.959 1.00 0.00 O ATOM 150 CB ASP A 12 2.220 -2.296 12.463 1.00 0.00 C ATOM 151 CG ASP A 12 3.561 -2.669 11.874 1.00 0.00 C ATOM 152 OD1 ASP A 12 4.485 -1.847 11.924 1.00 0.00 O ATOM 153 OD2 ASP A 12 3.705 -3.745 11.326 1.00 0.00 O ATOM 0 H ASP A 12 0.090 -2.143 13.488 1.00 0.00 H new ATOM 0 HA ASP A 12 2.484 -3.631 14.138 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.437 -2.784 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.077 -1.221 12.350 1.00 0.00 H new ATOM 158 N THR A 13 3.885 -1.311 14.448 1.00 0.00 N ATOM 159 CA THR A 13 4.799 -0.496 15.212 1.00 0.00 C ATOM 160 C THR A 13 5.448 0.595 14.348 1.00 0.00 C ATOM 161 O THR A 13 5.901 1.601 14.864 1.00 0.00 O ATOM 162 CB THR A 13 5.887 -1.383 15.864 1.00 0.00 C ATOM 163 OG1 THR A 13 6.615 -0.649 16.853 1.00 0.00 O ATOM 164 CG2 THR A 13 6.866 -1.952 14.830 1.00 0.00 C ATOM 0 H THR A 13 4.237 -1.549 13.521 1.00 0.00 H new ATOM 0 HA THR A 13 4.225 0.002 15.994 1.00 0.00 H new ATOM 0 HB THR A 13 5.368 -2.218 16.336 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.297 -1.228 17.254 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.611 -2.567 15.334 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.320 -2.561 14.109 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.364 -1.133 14.311 1.00 0.00 H new ATOM 172 N LYS A 14 5.479 0.385 13.036 1.00 0.00 N ATOM 173 CA LYS A 14 6.033 1.372 12.083 1.00 0.00 C ATOM 174 C LYS A 14 4.953 2.425 11.750 1.00 0.00 C ATOM 175 O LYS A 14 5.098 3.261 10.847 1.00 0.00 O ATOM 176 CB LYS A 14 6.486 0.639 10.809 1.00 0.00 C ATOM 177 CG LYS A 14 5.373 0.329 9.799 1.00 0.00 C ATOM 178 CD LYS A 14 5.898 -0.411 8.574 1.00 0.00 C ATOM 179 CE LYS A 14 6.210 -1.873 8.862 1.00 0.00 C ATOM 180 NZ LYS A 14 4.998 -2.608 9.247 1.00 0.00 N ATOM 0 H LYS A 14 5.126 -0.464 12.594 1.00 0.00 H new ATOM 0 HA LYS A 14 6.891 1.881 12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.246 1.243 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.962 -0.298 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.603 -0.272 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.900 1.259 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.160 -0.352 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.799 0.085 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.653 -2.334 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.948 -1.940 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.907 -3.460 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.063 -2.884 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.165 -2.001 9.109 1.00 0.00 H new ATOM 194 N VAL A 15 3.905 2.332 12.512 1.00 0.00 N ATOM 195 CA VAL A 15 2.729 3.107 12.454 1.00 0.00 C ATOM 196 C VAL A 15 2.970 4.595 12.546 1.00 0.00 C ATOM 197 O VAL A 15 3.526 5.117 13.510 1.00 0.00 O ATOM 198 CB VAL A 15 1.751 2.623 13.557 1.00 0.00 C ATOM 199 CG1 VAL A 15 0.632 3.617 13.821 1.00 0.00 C ATOM 200 CG2 VAL A 15 1.187 1.265 13.166 1.00 0.00 C ATOM 0 H VAL A 15 3.861 1.639 13.259 1.00 0.00 H new ATOM 0 HA VAL A 15 2.288 2.957 11.468 1.00 0.00 H new ATOM 0 HB VAL A 15 2.310 2.537 14.489 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.023 3.229 14.601 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.058 4.567 14.144 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.057 3.769 12.907 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.499 0.921 13.938 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.655 1.351 12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.002 0.549 13.061 1.00 0.00 H new ATOM 210 N TYR A 16 2.543 5.237 11.524 1.00 0.00 N ATOM 211 CA TYR A 16 2.542 6.648 11.435 1.00 0.00 C ATOM 212 C TYR A 16 1.141 7.057 11.823 1.00 0.00 C ATOM 213 O TYR A 16 0.184 6.301 11.586 1.00 0.00 O ATOM 214 CB TYR A 16 2.818 7.121 9.995 1.00 0.00 C ATOM 215 CG TYR A 16 3.964 6.428 9.269 1.00 0.00 C ATOM 216 CD1 TYR A 16 3.733 5.262 8.553 1.00 0.00 C ATOM 217 CD2 TYR A 16 5.251 6.949 9.268 1.00 0.00 C ATOM 218 CE1 TYR A 16 4.739 4.630 7.859 1.00 0.00 C ATOM 219 CE2 TYR A 16 6.275 6.316 8.575 1.00 0.00 C ATOM 220 CZ TYR A 16 6.008 5.155 7.871 1.00 0.00 C ATOM 221 OH TYR A 16 7.024 4.523 7.160 1.00 0.00 O ATOM 0 H TYR A 16 2.170 4.776 10.694 1.00 0.00 H new ATOM 0 HA TYR A 16 3.314 7.082 12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.909 6.985 9.409 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.025 8.191 10.019 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.739 4.840 8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.459 7.858 9.813 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.532 3.725 7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.273 6.727 8.586 1.00 0.00 H new ATOM 0 HH TYR A 16 7.860 5.022 7.271 1.00 0.00 H new ATOM 231 N CYS A 17 1.000 8.180 12.424 1.00 0.00 N ATOM 232 CA CYS A 17 -0.304 8.628 12.827 1.00 0.00 C ATOM 233 C CYS A 17 -0.998 9.354 11.675 1.00 0.00 C ATOM 234 O CYS A 17 -0.460 9.442 10.559 1.00 0.00 O ATOM 235 CB CYS A 17 -0.234 9.430 14.137 1.00 0.00 C ATOM 236 SG CYS A 17 0.331 11.111 14.014 1.00 0.00 S ATOM 0 H CYS A 17 1.765 8.815 12.653 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.932 7.767 13.056 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.227 9.437 14.585 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.423 8.900 14.826 1.00 0.00 H new ATOM 241 N THR A 18 -2.171 9.833 11.926 1.00 0.00 N ATOM 242 CA THR A 18 -3.024 10.331 10.903 1.00 0.00 C ATOM 243 C THR A 18 -2.743 11.708 10.357 1.00 0.00 C ATOM 244 O THR A 18 -2.012 12.520 10.891 1.00 0.00 O ATOM 245 CB THR A 18 -4.475 10.344 11.353 1.00 0.00 C ATOM 246 OG1 THR A 18 -4.650 11.134 12.532 1.00 0.00 O ATOM 247 CG2 THR A 18 -4.993 8.984 11.568 1.00 0.00 C ATOM 0 H THR A 18 -2.569 9.890 12.864 1.00 0.00 H new ATOM 0 HA THR A 18 -2.816 9.627 10.098 1.00 0.00 H new ATOM 0 HB THR A 18 -5.050 10.799 10.546 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.176 11.932 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.033 9.037 11.889 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.929 8.419 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.401 8.487 12.337 1.00 0.00 H new ATOM 255 N ARG A 19 -3.467 11.905 9.297 1.00 0.00 N ATOM 256 CA ARG A 19 -3.626 13.109 8.501 1.00 0.00 C ATOM 257 C ARG A 19 -4.959 13.756 8.937 1.00 0.00 C ATOM 258 O ARG A 19 -5.391 14.759 8.404 1.00 0.00 O ATOM 259 CB ARG A 19 -3.757 12.633 7.026 1.00 0.00 C ATOM 260 CG ARG A 19 -4.684 11.412 6.955 1.00 0.00 C ATOM 261 CD ARG A 19 -4.981 10.828 5.598 1.00 0.00 C ATOM 262 NE ARG A 19 -5.650 9.530 5.831 1.00 0.00 N ATOM 263 CZ ARG A 19 -6.921 9.369 6.258 1.00 0.00 C ATOM 264 NH1 ARG A 19 -7.823 10.345 6.138 1.00 0.00 N ATOM 265 NH2 ARG A 19 -7.282 8.218 6.786 1.00 0.00 N ATOM 0 H ARG A 19 -4.030 11.144 8.916 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.802 13.813 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.153 13.439 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.775 12.379 6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.247 10.625 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.633 11.686 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.621 11.495 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.063 10.693 5.025 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.106 8.686 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.558 11.235 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.777 10.201 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.604 7.460 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.239 8.084 7.112 1.00 0.00 H new ATOM 279 N GLU A 20 -5.598 13.108 9.908 1.00 0.00 N ATOM 280 CA GLU A 20 -6.905 13.462 10.402 1.00 0.00 C ATOM 281 C GLU A 20 -6.763 14.161 11.747 1.00 0.00 C ATOM 282 O GLU A 20 -5.941 13.748 12.576 1.00 0.00 O ATOM 283 CB GLU A 20 -7.690 12.171 10.579 1.00 0.00 C ATOM 284 CG GLU A 20 -7.763 11.335 9.312 1.00 0.00 C ATOM 285 CD GLU A 20 -8.448 10.001 9.494 1.00 0.00 C ATOM 286 OE1 GLU A 20 -8.163 9.317 10.498 1.00 0.00 O ATOM 287 OE2 GLU A 20 -9.204 9.588 8.589 1.00 0.00 O ATOM 0 H GLU A 20 -5.198 12.297 10.381 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.415 14.131 9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.230 11.580 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.701 12.411 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.292 11.901 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.752 11.165 8.942 1.00 0.00 H new ATOM 294 N SER A 21 -7.565 15.174 11.959 1.00 0.00 N ATOM 295 CA SER A 21 -7.555 16.006 13.171 1.00 0.00 C ATOM 296 C SER A 21 -8.760 15.664 14.047 1.00 0.00 C ATOM 297 O SER A 21 -9.133 16.392 14.950 1.00 0.00 O ATOM 298 CB SER A 21 -7.707 17.409 12.714 1.00 0.00 C ATOM 299 OG SER A 21 -6.717 17.730 11.744 1.00 0.00 O ATOM 0 H SER A 21 -8.270 15.464 11.282 1.00 0.00 H new ATOM 0 HA SER A 21 -6.640 15.847 13.741 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.700 17.553 12.289 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.623 18.085 13.565 1.00 0.00 H new ATOM 0 HG SER A 21 -6.833 18.658 11.453 1.00 0.00 H new ATOM 305 N ASN A 22 -9.330 14.576 13.710 1.00 0.00 N ATOM 306 CA ASN A 22 -10.551 14.013 14.315 1.00 0.00 C ATOM 307 C ASN A 22 -10.340 13.688 15.796 1.00 0.00 C ATOM 308 O ASN A 22 -9.578 12.795 16.105 1.00 0.00 O ATOM 309 CB ASN A 22 -10.943 12.704 13.585 1.00 0.00 C ATOM 310 CG ASN A 22 -11.164 12.847 12.077 1.00 0.00 C ATOM 311 OD1 ASN A 22 -10.569 13.700 11.410 1.00 0.00 O ATOM 312 ND2 ASN A 22 -11.984 11.993 11.523 1.00 0.00 N ATOM 0 H ASN A 22 -8.963 13.989 12.961 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.339 14.760 14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.162 11.963 13.754 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.855 12.313 14.036 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.146 12.021 10.516 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.462 11.299 12.097 1.00 0.00 H new ATOM 319 N PRO A 23 -11.012 14.403 16.720 1.00 0.00 N ATOM 320 CA PRO A 23 -10.869 14.162 18.169 1.00 0.00 C ATOM 321 C PRO A 23 -11.608 12.886 18.618 1.00 0.00 C ATOM 322 O PRO A 23 -12.671 12.540 18.076 1.00 0.00 O ATOM 323 CB PRO A 23 -11.494 15.408 18.797 1.00 0.00 C ATOM 324 CG PRO A 23 -12.490 15.886 17.793 1.00 0.00 C ATOM 325 CD PRO A 23 -11.952 15.504 16.436 1.00 0.00 C ATOM 0 HA PRO A 23 -9.832 14.004 18.464 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.973 15.173 19.748 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.740 16.169 18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.464 15.429 17.966 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.626 16.965 17.866 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.750 15.184 15.766 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.450 16.343 15.955 1.00 0.00 H new ATOM 333 N HIS A 24 -11.083 12.211 19.630 1.00 0.00 N ATOM 334 CA HIS A 24 -11.587 10.907 20.037 1.00 0.00 C ATOM 335 C HIS A 24 -11.347 10.675 21.475 1.00 0.00 C ATOM 336 O HIS A 24 -10.237 10.800 21.975 1.00 0.00 O ATOM 337 CB HIS A 24 -10.867 9.791 19.278 1.00 0.00 C ATOM 338 CG HIS A 24 -11.107 9.717 17.789 1.00 0.00 C ATOM 339 ND1 HIS A 24 -12.328 9.444 17.210 1.00 0.00 N ATOM 340 CD2 HIS A 24 -10.244 9.869 16.765 1.00 0.00 C ATOM 341 CE1 HIS A 24 -12.165 9.434 15.886 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.918 9.686 15.560 1.00 0.00 N ATOM 0 H HIS A 24 -10.300 12.549 20.190 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.655 10.897 19.821 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.796 9.903 19.444 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.160 8.837 19.717 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.193 10.097 16.864 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.955 9.244 15.175 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.525 9.737 14.620 1.00 0.00 H new ATOM 350 N CYS A 25 -12.373 10.329 22.112 1.00 0.00 N ATOM 351 CA CYS A 25 -12.334 9.871 23.437 1.00 0.00 C ATOM 352 C CYS A 25 -12.272 8.390 23.291 1.00 0.00 C ATOM 353 O CYS A 25 -13.280 7.744 23.025 1.00 0.00 O ATOM 354 CB CYS A 25 -13.587 10.282 24.196 1.00 0.00 C ATOM 355 SG CYS A 25 -13.645 9.650 25.901 1.00 0.00 S ATOM 0 H CYS A 25 -13.312 10.355 21.715 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.496 10.282 24.000 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.648 11.370 24.218 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.463 9.925 23.655 1.00 0.00 H new ATOM 360 N GLY A 26 -11.103 7.841 23.393 1.00 0.00 N ATOM 361 CA GLY A 26 -10.935 6.486 23.034 1.00 0.00 C ATOM 362 C GLY A 26 -11.314 5.572 24.112 1.00 0.00 C ATOM 363 O GLY A 26 -11.460 5.994 25.267 1.00 0.00 O ATOM 0 H GLY A 26 -10.261 8.314 23.721 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.535 6.270 22.150 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.894 6.311 22.762 1.00 0.00 H new ATOM 367 N SER A 27 -11.459 4.304 23.789 1.00 0.00 N ATOM 368 CA SER A 27 -11.722 3.330 24.803 1.00 0.00 C ATOM 369 C SER A 27 -10.383 3.025 25.545 1.00 0.00 C ATOM 370 O SER A 27 -10.309 2.176 26.413 1.00 0.00 O ATOM 371 CB SER A 27 -12.369 2.053 24.239 1.00 0.00 C ATOM 372 OG SER A 27 -12.749 1.171 25.267 1.00 0.00 O ATOM 0 H SER A 27 -11.398 3.936 22.840 1.00 0.00 H new ATOM 0 HA SER A 27 -12.450 3.734 25.506 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.243 2.319 23.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.668 1.554 23.570 1.00 0.00 H new ATOM 0 HG SER A 27 -12.052 1.151 25.956 1.00 0.00 H new ATOM 378 N ASP A 28 -9.342 3.801 25.143 1.00 0.00 N ATOM 379 CA ASP A 28 -8.012 3.900 25.756 1.00 0.00 C ATOM 380 C ASP A 28 -8.207 4.532 27.095 1.00 0.00 C ATOM 381 O ASP A 28 -7.401 4.444 27.997 1.00 0.00 O ATOM 382 CB ASP A 28 -7.165 4.812 24.823 1.00 0.00 C ATOM 383 CG ASP A 28 -5.730 5.105 25.263 1.00 0.00 C ATOM 384 OD1 ASP A 28 -5.545 5.940 26.143 1.00 0.00 O ATOM 385 OD2 ASP A 28 -4.765 4.585 24.627 1.00 0.00 O ATOM 0 H ASP A 28 -9.426 4.409 24.329 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.510 2.940 25.879 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.130 4.350 23.836 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.687 5.762 24.712 1.00 0.00 H new ATOM 390 N GLY A 29 -9.351 5.147 27.203 1.00 0.00 N ATOM 391 CA GLY A 29 -9.723 5.821 28.361 1.00 0.00 C ATOM 392 C GLY A 29 -9.584 7.252 28.115 1.00 0.00 C ATOM 393 O GLY A 29 -10.442 8.048 28.499 1.00 0.00 O ATOM 0 H GLY A 29 -10.048 5.180 26.459 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.751 5.579 28.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.095 5.516 29.198 1.00 0.00 H new ATOM 397 N GLN A 30 -8.585 7.556 27.349 1.00 0.00 N ATOM 398 CA GLN A 30 -8.186 8.899 27.125 1.00 0.00 C ATOM 399 C GLN A 30 -8.790 9.558 25.974 1.00 0.00 C ATOM 400 O GLN A 30 -9.272 8.924 25.030 1.00 0.00 O ATOM 401 CB GLN A 30 -6.717 9.025 27.063 1.00 0.00 C ATOM 402 CG GLN A 30 -6.153 8.543 28.298 1.00 0.00 C ATOM 403 CD GLN A 30 -4.646 8.637 28.362 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.042 9.542 27.801 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.028 7.683 29.003 1.00 0.00 N ATOM 0 H GLN A 30 -8.019 6.865 26.857 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.573 9.428 27.996 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.325 8.453 26.222 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.435 10.065 26.901 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.578 9.111 29.126 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.449 7.503 28.439 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.564 6.945 29.459 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.009 7.676 29.048 1.00 0.00 H new ATOM 414 N THR A 31 -8.798 10.830 26.079 1.00 0.00 N ATOM 415 CA THR A 31 -9.206 11.654 24.992 1.00 0.00 C ATOM 416 C THR A 31 -7.986 12.093 24.261 1.00 0.00 C ATOM 417 O THR A 31 -7.067 12.669 24.842 1.00 0.00 O ATOM 418 CB THR A 31 -9.997 12.913 25.383 1.00 0.00 C ATOM 419 OG1 THR A 31 -11.213 12.556 26.079 1.00 0.00 O ATOM 420 CG2 THR A 31 -10.326 13.724 24.100 1.00 0.00 C ATOM 0 H THR A 31 -8.523 11.338 26.919 1.00 0.00 H new ATOM 0 HA THR A 31 -9.881 11.044 24.391 1.00 0.00 H new ATOM 0 HB THR A 31 -9.393 13.523 26.055 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.081 12.662 27.044 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.887 14.619 24.369 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.399 14.012 23.604 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.923 13.111 23.425 1.00 0.00 H new ATOM 428 N TYR A 32 -7.973 11.825 23.021 1.00 0.00 N ATOM 429 CA TYR A 32 -6.924 12.212 22.210 1.00 0.00 C ATOM 430 C TYR A 32 -7.383 13.269 21.274 1.00 0.00 C ATOM 431 O TYR A 32 -8.553 13.284 20.850 1.00 0.00 O ATOM 432 CB TYR A 32 -6.327 11.027 21.508 1.00 0.00 C ATOM 433 CG TYR A 32 -5.652 10.102 22.478 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.374 10.381 22.941 1.00 0.00 C ATOM 435 CD2 TYR A 32 -6.291 8.978 22.957 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.756 9.568 23.851 1.00 0.00 C ATOM 437 CE2 TYR A 32 -5.677 8.158 23.863 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.407 8.457 24.309 1.00 0.00 C ATOM 439 OH TYR A 32 -3.792 7.647 25.237 1.00 0.00 O ATOM 0 H TYR A 32 -8.715 11.317 22.539 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.126 12.638 22.818 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.108 10.488 20.971 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.606 11.367 20.765 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.858 11.256 22.576 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.287 8.743 22.613 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.763 9.802 24.204 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.186 7.278 24.228 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.472 7.211 25.792 1.00 0.00 H new ATOM 449 N GLY A 33 -6.478 14.163 21.004 1.00 0.00 N ATOM 450 CA GLY A 33 -6.733 15.307 20.161 1.00 0.00 C ATOM 451 C GLY A 33 -7.132 14.918 18.772 1.00 0.00 C ATOM 452 O GLY A 33 -7.936 15.591 18.152 1.00 0.00 O ATOM 0 H GLY A 33 -5.525 14.122 21.366 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.522 15.913 20.606 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.839 15.929 20.118 1.00 0.00 H new ATOM 456 N ASN A 34 -6.574 13.830 18.282 1.00 0.00 N ATOM 457 CA ASN A 34 -6.914 13.361 16.978 1.00 0.00 C ATOM 458 C ASN A 34 -6.638 11.881 16.843 1.00 0.00 C ATOM 459 O ASN A 34 -6.063 11.254 17.737 1.00 0.00 O ATOM 460 CB ASN A 34 -6.237 14.187 15.855 1.00 0.00 C ATOM 461 CG ASN A 34 -4.721 14.059 15.796 1.00 0.00 C ATOM 462 OD1 ASN A 34 -4.062 13.756 16.781 1.00 0.00 O ATOM 463 ND2 ASN A 34 -4.159 14.302 14.638 1.00 0.00 N ATOM 0 H ASN A 34 -5.885 13.263 18.776 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.987 13.508 16.853 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.652 13.878 14.895 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.494 15.238 15.990 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.146 14.241 14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.735 14.552 13.834 1.00 0.00 H new ATOM 470 N LYS A 35 -7.049 11.340 15.721 1.00 0.00 N ATOM 471 CA LYS A 35 -6.958 9.907 15.370 1.00 0.00 C ATOM 472 C LYS A 35 -5.515 9.444 15.393 1.00 0.00 C ATOM 473 O LYS A 35 -5.206 8.305 15.628 1.00 0.00 O ATOM 474 CB LYS A 35 -7.595 9.761 13.995 1.00 0.00 C ATOM 475 CG LYS A 35 -8.174 8.392 13.523 1.00 0.00 C ATOM 476 CD LYS A 35 -7.170 7.246 13.395 1.00 0.00 C ATOM 477 CE LYS A 35 -7.628 6.228 12.331 1.00 0.00 C ATOM 478 NZ LYS A 35 -7.603 6.792 10.931 1.00 0.00 N ATOM 0 H LYS A 35 -7.478 11.896 14.981 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.481 9.278 16.090 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.406 10.488 13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.846 10.062 13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.953 8.089 14.223 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.654 8.538 12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.191 7.643 13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.058 6.746 14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.985 5.349 12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.639 5.895 12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.465 6.503 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.559 7.830 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.768 6.432 10.426 1.00 0.00 H new ATOM 492 N CYS A 36 -4.699 10.344 15.138 1.00 0.00 N ATOM 493 CA CYS A 36 -3.242 10.201 15.190 1.00 0.00 C ATOM 494 C CYS A 36 -2.806 9.745 16.557 1.00 0.00 C ATOM 495 O CYS A 36 -2.124 8.735 16.726 1.00 0.00 O ATOM 496 CB CYS A 36 -2.598 11.568 14.808 1.00 0.00 C ATOM 497 SG CYS A 36 -0.886 11.949 15.386 1.00 0.00 S ATOM 0 H CYS A 36 -4.993 11.281 14.864 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.912 9.442 14.481 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.601 11.640 13.720 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.253 12.355 15.181 1.00 0.00 H new ATOM 502 N ALA A 37 -3.313 10.426 17.477 1.00 0.00 N ATOM 503 CA ALA A 37 -3.012 10.272 18.863 1.00 0.00 C ATOM 504 C ALA A 37 -3.726 9.039 19.414 1.00 0.00 C ATOM 505 O ALA A 37 -3.221 8.337 20.266 1.00 0.00 O ATOM 506 CB ALA A 37 -3.491 11.528 19.556 1.00 0.00 C ATOM 0 H ALA A 37 -3.997 11.161 17.298 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.944 10.131 19.027 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.282 11.457 20.623 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.973 12.393 19.141 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.564 11.641 19.403 1.00 0.00 H new ATOM 512 N PHE A 38 -4.894 8.802 18.910 1.00 0.00 N ATOM 513 CA PHE A 38 -5.738 7.680 19.342 1.00 0.00 C ATOM 514 C PHE A 38 -5.487 6.338 18.625 1.00 0.00 C ATOM 515 O PHE A 38 -5.706 5.294 19.224 1.00 0.00 O ATOM 516 CB PHE A 38 -7.222 8.108 19.286 1.00 0.00 C ATOM 517 CG PHE A 38 -8.232 7.002 19.395 1.00 0.00 C ATOM 518 CD1 PHE A 38 -8.323 6.223 20.534 1.00 0.00 C ATOM 519 CD2 PHE A 38 -9.094 6.748 18.344 1.00 0.00 C ATOM 520 CE1 PHE A 38 -9.250 5.212 20.614 1.00 0.00 C ATOM 521 CE2 PHE A 38 -10.025 5.744 18.424 1.00 0.00 C ATOM 522 CZ PHE A 38 -10.101 4.974 19.560 1.00 0.00 C ATOM 0 H PHE A 38 -5.314 9.375 18.178 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.450 7.460 20.370 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.405 8.820 20.091 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.392 8.637 18.348 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.661 6.411 21.366 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.033 7.348 17.448 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.310 4.604 21.505 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.696 5.559 17.598 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.831 4.180 19.625 1.00 0.00 H new ATOM 532 N CYS A 39 -4.959 6.335 17.419 1.00 0.00 N ATOM 533 CA CYS A 39 -4.873 5.092 16.666 1.00 0.00 C ATOM 534 C CYS A 39 -3.919 4.164 17.300 1.00 0.00 C ATOM 535 O CYS A 39 -4.166 3.002 17.332 1.00 0.00 O ATOM 536 CB CYS A 39 -4.498 5.304 15.193 1.00 0.00 C ATOM 537 SG CYS A 39 -4.785 3.796 14.164 1.00 0.00 S ATOM 0 H CYS A 39 -4.589 7.158 16.943 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.872 4.657 16.681 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.081 6.132 14.789 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.448 5.591 15.126 1.00 0.00 H new ATOM 542 N LYS A 40 -2.930 4.709 17.987 1.00 0.00 N ATOM 543 CA LYS A 40 -1.839 3.970 18.494 1.00 0.00 C ATOM 544 C LYS A 40 -2.270 3.007 19.512 1.00 0.00 C ATOM 545 O LYS A 40 -1.722 1.933 19.678 1.00 0.00 O ATOM 546 CB LYS A 40 -0.791 4.919 19.043 1.00 0.00 C ATOM 547 CG LYS A 40 -1.197 6.034 20.083 1.00 0.00 C ATOM 548 CD LYS A 40 -1.647 5.452 21.420 1.00 0.00 C ATOM 549 CE LYS A 40 -2.048 6.478 22.478 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.533 5.826 23.754 1.00 0.00 N ATOM 0 H LYS A 40 -2.883 5.705 18.201 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.400 3.395 17.679 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.016 4.310 19.508 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.333 5.422 18.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.349 6.699 20.247 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.001 6.640 19.665 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.493 4.789 21.242 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.840 4.839 21.820 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.195 7.119 22.701 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.833 7.120 22.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.746 6.560 24.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.393 5.275 23.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.794 5.194 24.123 1.00 0.00 H new ATOM 564 N ALA A 41 -3.248 3.425 20.150 1.00 0.00 N ATOM 565 CA ALA A 41 -3.878 2.715 21.216 1.00 0.00 C ATOM 566 C ALA A 41 -4.471 1.477 20.673 1.00 0.00 C ATOM 567 O ALA A 41 -4.325 0.385 21.234 1.00 0.00 O ATOM 568 CB ALA A 41 -4.950 3.566 21.727 1.00 0.00 C ATOM 0 H ALA A 41 -3.684 4.326 19.957 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.165 2.467 22.002 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.459 3.058 22.546 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.529 4.505 22.088 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.663 3.771 20.929 1.00 0.00 H new ATOM 574 N ILE A 42 -5.038 1.626 19.516 1.00 0.00 N ATOM 575 CA ILE A 42 -5.727 0.575 18.887 1.00 0.00 C ATOM 576 C ILE A 42 -4.725 -0.388 18.389 1.00 0.00 C ATOM 577 O ILE A 42 -4.787 -1.584 18.648 1.00 0.00 O ATOM 578 CB ILE A 42 -6.495 1.191 17.765 1.00 0.00 C ATOM 579 CG1 ILE A 42 -7.552 2.013 18.380 1.00 0.00 C ATOM 580 CG2 ILE A 42 -7.042 0.155 16.862 1.00 0.00 C ATOM 581 CD1 ILE A 42 -8.029 3.075 17.497 1.00 0.00 C ATOM 0 H ILE A 42 -5.027 2.498 18.986 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.408 0.046 19.554 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.854 1.813 17.140 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.390 1.373 18.656 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.172 2.456 19.301 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.597 0.632 16.054 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.224 -0.432 16.444 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.709 -0.500 17.422 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.806 3.647 18.003 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.200 3.735 17.241 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.437 2.636 16.587 1.00 0.00 H new ATOM 593 N VAL A 43 -3.765 0.184 17.781 1.00 0.00 N ATOM 594 CA VAL A 43 -2.641 -0.488 17.197 1.00 0.00 C ATOM 595 C VAL A 43 -1.901 -1.340 18.221 1.00 0.00 C ATOM 596 O VAL A 43 -1.363 -2.385 17.910 1.00 0.00 O ATOM 597 CB VAL A 43 -1.669 0.543 16.630 1.00 0.00 C ATOM 598 CG1 VAL A 43 -0.559 -0.109 15.874 1.00 0.00 C ATOM 599 CG2 VAL A 43 -2.369 1.519 15.746 1.00 0.00 C ATOM 0 H VAL A 43 -3.725 1.196 17.661 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.018 -1.140 16.409 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.245 1.078 17.480 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.114 0.655 15.484 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.007 -0.774 16.539 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.972 -0.685 15.046 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.649 2.240 15.358 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.835 0.989 14.915 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.135 2.043 16.317 1.00 0.00 H new ATOM 609 N LYS A 44 -1.845 -0.884 19.417 1.00 0.00 N ATOM 610 CA LYS A 44 -1.139 -1.592 20.441 1.00 0.00 C ATOM 611 C LYS A 44 -1.967 -2.652 21.078 1.00 0.00 C ATOM 612 O LYS A 44 -1.472 -3.708 21.428 1.00 0.00 O ATOM 613 CB LYS A 44 -0.610 -0.644 21.442 1.00 0.00 C ATOM 614 CG LYS A 44 0.585 0.198 20.957 1.00 0.00 C ATOM 615 CD LYS A 44 1.867 -0.638 20.682 1.00 0.00 C ATOM 616 CE LYS A 44 2.179 -0.881 19.176 1.00 0.00 C ATOM 617 NZ LYS A 44 1.337 -1.926 18.505 1.00 0.00 N ATOM 0 H LYS A 44 -2.282 -0.014 19.722 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.302 -2.106 19.968 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.412 0.028 21.746 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.309 -1.202 22.328 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.302 0.723 20.045 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.811 0.958 21.705 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.718 -0.132 21.138 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.767 -1.603 21.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.055 0.060 18.640 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.227 -1.167 19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.697 -2.098 17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.377 -2.809 19.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.352 -1.596 18.452 1.00 0.00 H new ATOM 631 N SER A 45 -3.210 -2.372 21.215 1.00 0.00 N ATOM 632 CA SER A 45 -4.121 -3.314 21.799 1.00 0.00 C ATOM 633 C SER A 45 -4.445 -4.443 20.813 1.00 0.00 C ATOM 634 O SER A 45 -4.827 -5.534 21.232 1.00 0.00 O ATOM 635 CB SER A 45 -5.388 -2.608 22.254 1.00 0.00 C ATOM 636 OG SER A 45 -6.245 -3.452 23.039 1.00 0.00 O ATOM 0 H SER A 45 -3.634 -1.489 20.930 1.00 0.00 H new ATOM 0 HA SER A 45 -3.645 -3.761 22.671 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.118 -1.728 22.838 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.935 -2.255 21.380 1.00 0.00 H new ATOM 0 HG SER A 45 -6.368 -3.058 23.928 1.00 0.00 H new ATOM 642 N GLY A 46 -4.289 -4.186 19.524 1.00 0.00 N ATOM 643 CA GLY A 46 -4.549 -5.164 18.555 1.00 0.00 C ATOM 644 C GLY A 46 -5.777 -4.903 17.772 1.00 0.00 C ATOM 645 O GLY A 46 -6.356 -5.808 17.195 1.00 0.00 O ATOM 0 H GLY A 46 -3.979 -3.289 19.151 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.700 -5.226 17.875 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.638 -6.134 19.043 1.00 0.00 H new ATOM 649 N GLY A 47 -6.190 -3.681 17.769 1.00 0.00 N ATOM 650 CA GLY A 47 -7.435 -3.336 17.152 1.00 0.00 C ATOM 651 C GLY A 47 -8.540 -3.459 18.163 1.00 0.00 C ATOM 652 O GLY A 47 -9.664 -3.079 17.920 1.00 0.00 O ATOM 0 H GLY A 47 -5.686 -2.899 18.187 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.392 -2.318 16.764 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.628 -3.992 16.303 1.00 0.00 H new ATOM 656 N LYS A 48 -8.180 -4.017 19.324 1.00 0.00 N ATOM 657 CA LYS A 48 -9.118 -4.235 20.407 1.00 0.00 C ATOM 658 C LYS A 48 -9.679 -2.972 21.044 1.00 0.00 C ATOM 659 O LYS A 48 -10.757 -3.001 21.613 1.00 0.00 O ATOM 660 CB LYS A 48 -8.527 -5.181 21.410 1.00 0.00 C ATOM 661 CG LYS A 48 -8.530 -6.623 20.909 1.00 0.00 C ATOM 662 CD LYS A 48 -7.264 -7.413 21.243 1.00 0.00 C ATOM 663 CE LYS A 48 -6.961 -7.549 22.746 1.00 0.00 C ATOM 664 NZ LYS A 48 -6.347 -6.321 23.326 1.00 0.00 N ATOM 0 H LYS A 48 -7.230 -4.326 19.529 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.000 -4.694 19.961 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.505 -4.878 21.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.090 -5.120 22.341 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.389 -7.141 21.336 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.665 -6.618 19.827 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.352 -8.411 20.814 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.415 -6.932 20.758 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.885 -7.774 23.279 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.289 -8.393 22.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.777 -6.577 24.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.738 -5.869 22.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.097 -5.659 23.611 1.00 0.00 H new ATOM 678 N ILE A 49 -8.941 -1.901 21.017 1.00 0.00 N ATOM 679 CA ILE A 49 -9.507 -0.634 21.482 1.00 0.00 C ATOM 680 C ILE A 49 -10.312 0.012 20.369 1.00 0.00 C ATOM 681 O ILE A 49 -9.994 -0.115 19.198 1.00 0.00 O ATOM 682 CB ILE A 49 -8.417 0.322 22.008 1.00 0.00 C ATOM 683 CG1 ILE A 49 -7.779 -0.287 23.229 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.944 1.744 22.324 1.00 0.00 C ATOM 685 CD1 ILE A 49 -6.487 0.335 23.562 1.00 0.00 C ATOM 0 H ILE A 49 -7.975 -1.860 20.692 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.171 -0.846 22.320 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.682 0.447 21.213 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.456 -0.186 24.077 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.632 -1.354 23.064 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.124 2.363 22.689 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.358 2.188 21.419 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.720 1.683 23.087 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.072 -0.142 24.450 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.797 0.211 22.727 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.634 1.397 23.756 1.00 0.00 H new ATOM 697 N SER A 50 -11.319 0.700 20.759 1.00 0.00 N ATOM 698 CA SER A 50 -12.229 1.345 19.880 1.00 0.00 C ATOM 699 C SER A 50 -12.507 2.699 20.473 1.00 0.00 C ATOM 700 O SER A 50 -11.908 3.061 21.481 1.00 0.00 O ATOM 701 CB SER A 50 -13.512 0.516 19.756 1.00 0.00 C ATOM 702 OG SER A 50 -13.224 -0.786 19.277 1.00 0.00 O ATOM 0 H SER A 50 -11.545 0.837 21.744 1.00 0.00 H new ATOM 0 HA SER A 50 -11.818 1.447 18.876 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.004 0.451 20.727 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.207 1.012 19.079 1.00 0.00 H new ATOM 0 HG SER A 50 -14.055 -1.300 19.206 1.00 0.00 H new ATOM 708 N LEU A 51 -13.306 3.466 19.850 1.00 0.00 N ATOM 709 CA LEU A 51 -13.650 4.684 20.287 1.00 0.00 C ATOM 710 C LEU A 51 -14.856 4.699 21.199 1.00 0.00 C ATOM 711 O LEU A 51 -15.776 3.928 21.007 1.00 0.00 O ATOM 712 CB LEU A 51 -13.990 5.461 19.126 1.00 0.00 C ATOM 713 CG LEU A 51 -14.300 6.807 19.473 1.00 0.00 C ATOM 714 CD1 LEU A 51 -13.078 7.427 19.965 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.878 7.480 18.369 1.00 0.00 C ATOM 0 H LEU A 51 -13.747 3.210 18.967 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.809 5.073 20.861 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.158 5.448 18.421 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.843 5.008 18.621 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.049 6.858 20.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.281 8.462 20.241 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.720 6.882 20.839 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.317 7.401 19.185 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.109 8.507 18.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.176 7.481 17.535 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.794 6.970 18.071 1.00 0.00 H new ATOM 727 N LYS A 52 -14.807 5.546 22.223 1.00 0.00 N ATOM 728 CA LYS A 52 -16.015 5.830 22.948 1.00 0.00 C ATOM 729 C LYS A 52 -16.786 6.851 22.182 1.00 0.00 C ATOM 730 O LYS A 52 -17.894 6.625 21.730 1.00 0.00 O ATOM 731 CB LYS A 52 -15.826 6.440 24.320 1.00 0.00 C ATOM 732 CG LYS A 52 -14.766 5.902 25.200 1.00 0.00 C ATOM 733 CD LYS A 52 -15.040 6.374 26.636 1.00 0.00 C ATOM 734 CE LYS A 52 -13.872 6.189 27.591 1.00 0.00 C ATOM 735 NZ LYS A 52 -12.784 7.147 27.301 1.00 0.00 N ATOM 0 H LYS A 52 -13.970 6.027 22.552 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.502 4.863 23.069 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.633 7.504 24.184 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.773 6.353 24.853 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.753 4.813 25.155 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.787 6.247 24.868 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.311 7.429 26.613 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.902 5.832 27.026 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.214 6.323 28.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.493 5.170 27.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.295 7.395 28.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.107 6.714 26.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.183 8.007 26.873 1.00 0.00 H new ATOM 749 N HIS A 53 -16.145 7.961 21.996 1.00 0.00 N ATOM 750 CA HIS A 53 -16.845 9.156 21.492 1.00 0.00 C ATOM 751 C HIS A 53 -15.975 9.963 20.559 1.00 0.00 C ATOM 752 O HIS A 53 -14.760 10.054 20.767 1.00 0.00 O ATOM 753 CB HIS A 53 -17.255 10.112 22.655 1.00 0.00 C ATOM 754 CG HIS A 53 -18.118 9.529 23.741 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.802 9.592 25.086 1.00 0.00 N ATOM 756 CD2 HIS A 53 -19.319 8.905 23.672 1.00 0.00 C ATOM 757 CE1 HIS A 53 -18.795 9.015 25.768 1.00 0.00 C ATOM 758 NE2 HIS A 53 -19.740 8.582 24.961 1.00 0.00 N ATOM 0 H HIS A 53 -15.149 8.090 22.176 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.724 8.781 20.969 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.345 10.497 23.115 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.780 10.965 22.225 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.960 10.006 25.486 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.863 8.692 22.764 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.819 8.917 26.843 1.00 0.00 H new ATOM 766 N PRO A 54 -16.553 10.531 19.491 1.00 0.00 N ATOM 767 CA PRO A 54 -15.858 11.497 18.671 1.00 0.00 C ATOM 768 C PRO A 54 -15.878 12.837 19.402 1.00 0.00 C ATOM 769 O PRO A 54 -16.929 13.457 19.558 1.00 0.00 O ATOM 770 CB PRO A 54 -16.693 11.572 17.374 1.00 0.00 C ATOM 771 CG PRO A 54 -17.775 10.544 17.521 1.00 0.00 C ATOM 772 CD PRO A 54 -17.911 10.273 18.990 1.00 0.00 C ATOM 0 HA PRO A 54 -14.820 11.238 18.464 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -17.116 12.567 17.239 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.075 11.367 16.500 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.715 10.908 17.105 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.520 9.632 16.981 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.646 10.928 19.457 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.227 9.248 19.186 1.00 0.00 H new ATOM 780 N GLY A 55 -14.744 13.250 19.864 1.00 0.00 N ATOM 781 CA GLY A 55 -14.661 14.422 20.675 1.00 0.00 C ATOM 782 C GLY A 55 -14.169 14.061 22.044 1.00 0.00 C ATOM 783 O GLY A 55 -13.920 12.889 22.322 1.00 0.00 O ATOM 0 H GLY A 55 -13.851 12.787 19.692 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.987 15.146 20.216 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.640 14.897 20.744 1.00 0.00 H new ATOM 787 N LYS A 56 -13.955 15.055 22.863 1.00 0.00 N ATOM 788 CA LYS A 56 -13.530 14.874 24.206 1.00 0.00 C ATOM 789 C LYS A 56 -14.474 14.169 25.122 1.00 0.00 C ATOM 790 O LYS A 56 -15.671 14.052 24.912 1.00 0.00 O ATOM 791 CB LYS A 56 -13.295 16.200 24.889 1.00 0.00 C ATOM 792 CG LYS A 56 -12.138 17.012 24.444 1.00 0.00 C ATOM 793 CD LYS A 56 -11.927 18.223 25.376 1.00 0.00 C ATOM 794 CE LYS A 56 -11.334 17.864 26.793 1.00 0.00 C ATOM 795 NZ LYS A 56 -12.185 16.970 27.670 1.00 0.00 N ATOM 0 H LYS A 56 -14.077 16.033 22.599 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.639 14.262 24.068 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.194 16.804 24.767 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.181 16.011 25.956 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.239 16.396 24.432 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.302 17.357 23.423 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.259 18.931 24.885 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.882 18.730 25.514 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.368 17.381 26.647 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.147 18.793 27.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.933 17.121 28.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.189 17.199 27.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.018 15.975 27.417 1.00 0.00 H new ATOM 809 N CYS A 57 -13.842 13.757 26.140 1.00 0.00 N ATOM 810 CA CYS A 57 -14.385 13.439 27.392 1.00 0.00 C ATOM 811 C CYS A 57 -13.558 14.348 28.262 1.00 0.00 C ATOM 812 O CYS A 57 -12.306 14.195 28.240 1.00 0.00 O ATOM 813 CB CYS A 57 -14.177 11.967 27.782 1.00 0.00 C ATOM 814 SG CYS A 57 -15.097 10.747 26.767 1.00 0.00 S ATOM 815 OXT CYS A 57 -14.082 15.341 28.775 1.00 0.00 O ATOM 0 H CYS A 57 -12.832 13.620 26.117 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.466 13.567 27.454 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.113 11.739 27.718 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.468 11.840 28.825 1.00 0.00 H new TER 820 CYS A 57