USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 421 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 23 TYR OH : rot 15:sc= -2.07! USER MOD Set 1.2: A 25 HIS : no HD1:sc= -1.92 K(o=-4,f=-8.1!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.0726 USER MOD Set 2.2: A 9 ASN : amide:sc= -0.617 K(o=-0.54,f=-2.1) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.307 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.73! C(o=-4.7!,f=-7.4!) USER MOD Single : A 33 ASN : amide:sc= -0.673 K(o=-0.67,f=-1.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 57 CYS SG : rot 4:sc= 0.0171 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.560 -14.476 17.143 1.00 0.00 N ATOM 2 CA GLU A 1 11.295 -14.522 17.856 1.00 0.00 C ATOM 3 C GLU A 1 10.637 -13.140 17.859 1.00 0.00 C ATOM 4 O GLU A 1 10.501 -12.516 18.910 1.00 0.00 O ATOM 5 CB GLU A 1 11.488 -15.041 19.282 1.00 0.00 C ATOM 6 CG GLU A 1 10.382 -16.028 19.660 1.00 0.00 C ATOM 7 CD GLU A 1 9.951 -15.838 21.116 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.283 -14.816 21.381 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.300 -16.720 21.930 1.00 0.00 O ATOM 0 H1 GLU A 1 12.996 -15.420 17.148 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.394 -14.177 16.161 1.00 0.00 H new ATOM 0 H3 GLU A 1 13.197 -13.798 17.609 1.00 0.00 H new ATOM 0 HA GLU A 1 10.633 -15.217 17.339 1.00 0.00 H new ATOM 0 HB2 GLU A 1 12.460 -15.528 19.367 1.00 0.00 H new ATOM 0 HB3 GLU A 1 11.488 -14.204 19.981 1.00 0.00 H new ATOM 0 HG2 GLU A 1 9.524 -15.888 19.002 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.734 -17.049 19.512 1.00 0.00 H new ATOM 16 N GLU A 2 10.246 -12.703 16.671 1.00 0.00 N ATOM 17 CA GLU A 2 9.606 -11.407 16.524 1.00 0.00 C ATOM 18 C GLU A 2 8.723 -11.390 15.275 1.00 0.00 C ATOM 19 O GLU A 2 8.683 -12.364 14.525 1.00 0.00 O ATOM 20 CB GLU A 2 10.645 -10.285 16.477 1.00 0.00 C ATOM 21 CG GLU A 2 10.817 -9.639 17.853 1.00 0.00 C ATOM 22 CD GLU A 2 12.288 -9.322 18.130 1.00 0.00 C ATOM 23 OE1 GLU A 2 12.896 -8.651 17.267 1.00 0.00 O ATOM 24 OE2 GLU A 2 12.771 -9.757 19.197 1.00 0.00 O ATOM 0 H GLU A 2 10.360 -13.223 15.801 1.00 0.00 H new ATOM 0 HA GLU A 2 8.973 -11.235 17.395 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.601 -10.684 16.136 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.338 -9.530 15.753 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.228 -8.723 17.905 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.434 -10.308 18.623 1.00 0.00 H new ATOM 31 N TYR A 3 8.036 -10.272 15.089 1.00 0.00 N ATOM 32 CA TYR A 3 7.156 -10.115 13.944 1.00 0.00 C ATOM 33 C TYR A 3 6.449 -8.759 13.977 1.00 0.00 C ATOM 34 O TYR A 3 6.437 -8.086 15.007 1.00 0.00 O ATOM 35 CB TYR A 3 6.110 -11.225 14.061 1.00 0.00 C ATOM 36 CG TYR A 3 5.840 -11.967 12.750 1.00 0.00 C ATOM 37 CD1 TYR A 3 4.936 -11.456 11.842 1.00 0.00 C ATOM 38 CD2 TYR A 3 6.502 -13.147 12.477 1.00 0.00 C ATOM 39 CE1 TYR A 3 4.682 -12.154 10.608 1.00 0.00 C ATOM 40 CE2 TYR A 3 6.248 -13.845 11.243 1.00 0.00 C ATOM 41 CZ TYR A 3 5.351 -13.315 10.370 1.00 0.00 C ATOM 42 OH TYR A 3 5.111 -13.974 9.205 1.00 0.00 O ATOM 0 H TYR A 3 8.071 -9.466 15.713 1.00 0.00 H new ATOM 0 HA TYR A 3 7.723 -10.170 13.014 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.440 -11.943 14.812 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.176 -10.794 14.421 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.419 -10.533 12.056 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.210 -13.547 13.188 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.977 -11.765 9.888 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.759 -14.769 11.016 1.00 0.00 H new ATOM 0 HH TYR A 3 5.659 -14.786 9.169 1.00 0.00 H new ATOM 52 N VAL A 4 5.878 -8.397 12.838 1.00 0.00 N ATOM 53 CA VAL A 4 5.171 -7.133 12.724 1.00 0.00 C ATOM 54 C VAL A 4 3.798 -7.377 12.093 1.00 0.00 C ATOM 55 O VAL A 4 3.378 -8.522 11.936 1.00 0.00 O ATOM 56 CB VAL A 4 6.018 -6.128 11.940 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.206 -5.645 12.774 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.487 -6.725 10.612 1.00 0.00 C ATOM 0 H VAL A 4 5.891 -8.957 11.986 1.00 0.00 H new ATOM 0 HA VAL A 4 5.004 -6.699 13.710 1.00 0.00 H new ATOM 0 HB VAL A 4 5.392 -5.264 11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.792 -4.932 12.194 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.842 -5.163 13.681 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.832 -6.496 13.042 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.087 -5.990 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.088 -7.613 10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.621 -6.997 10.009 1.00 0.00 H new ATOM 68 N GLY A 5 3.137 -6.281 11.750 1.00 0.00 N ATOM 69 CA GLY A 5 1.820 -6.362 11.141 1.00 0.00 C ATOM 70 C GLY A 5 0.908 -5.247 11.658 1.00 0.00 C ATOM 71 O GLY A 5 -0.161 -5.005 11.098 1.00 0.00 O ATOM 0 H GLY A 5 3.489 -5.333 11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.911 -6.289 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.374 -7.332 11.359 1.00 0.00 H new ATOM 75 N LEU A 6 1.363 -4.598 12.719 1.00 0.00 N ATOM 76 CA LEU A 6 0.601 -3.515 13.317 1.00 0.00 C ATOM 77 C LEU A 6 1.428 -2.228 13.268 1.00 0.00 C ATOM 78 O LEU A 6 1.695 -1.618 14.303 1.00 0.00 O ATOM 79 CB LEU A 6 0.141 -3.897 14.725 1.00 0.00 C ATOM 80 CG LEU A 6 1.142 -4.693 15.565 1.00 0.00 C ATOM 81 CD1 LEU A 6 0.709 -4.745 17.031 1.00 0.00 C ATOM 82 CD2 LEU A 6 1.360 -6.090 14.981 1.00 0.00 C ATOM 0 H LEU A 6 2.250 -4.801 13.180 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.310 -3.331 12.748 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.110 -2.983 15.264 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.776 -4.480 14.640 1.00 0.00 H new ATOM 0 HG LEU A 6 2.102 -4.177 15.531 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.438 -5.317 17.606 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.648 -3.732 17.428 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.267 -5.224 17.105 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.076 -6.634 15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.413 -6.629 14.963 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.747 -6.004 13.966 1.00 0.00 H new ATOM 94 N SER A 7 1.810 -1.853 12.056 1.00 0.00 N ATOM 95 CA SER A 7 2.601 -0.651 11.859 1.00 0.00 C ATOM 96 C SER A 7 2.686 -0.319 10.368 1.00 0.00 C ATOM 97 O SER A 7 1.769 -0.625 9.607 1.00 0.00 O ATOM 98 CB SER A 7 4.004 -0.811 12.448 1.00 0.00 C ATOM 99 OG SER A 7 4.857 -1.571 11.596 1.00 0.00 O ATOM 0 H SER A 7 1.586 -2.361 11.200 1.00 0.00 H new ATOM 0 HA SER A 7 2.110 0.170 12.380 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.442 0.173 12.615 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.936 -1.298 13.421 1.00 0.00 H new ATOM 0 HG SER A 7 5.744 -1.649 12.006 1.00 0.00 H new ATOM 105 N ALA A 8 3.795 0.303 9.995 1.00 0.00 N ATOM 106 CA ALA A 8 4.011 0.680 8.608 1.00 0.00 C ATOM 107 C ALA A 8 5.191 -0.116 8.047 1.00 0.00 C ATOM 108 O ALA A 8 5.785 0.273 7.042 1.00 0.00 O ATOM 109 CB ALA A 8 4.232 2.191 8.518 1.00 0.00 C ATOM 0 H ALA A 8 4.553 0.555 10.629 1.00 0.00 H new ATOM 0 HA ALA A 8 3.135 0.442 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.394 2.474 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.354 2.711 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.105 2.467 9.109 1.00 0.00 H new ATOM 115 N ASN A 9 5.495 -1.216 8.719 1.00 0.00 N ATOM 116 CA ASN A 9 6.593 -2.071 8.300 1.00 0.00 C ATOM 117 C ASN A 9 6.374 -2.499 6.847 1.00 0.00 C ATOM 118 O ASN A 9 7.240 -2.291 5.998 1.00 0.00 O ATOM 119 CB ASN A 9 6.668 -3.334 9.159 1.00 0.00 C ATOM 120 CG ASN A 9 7.888 -3.299 10.082 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.951 -2.547 11.041 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.849 -4.151 9.740 1.00 0.00 N ATOM 0 H ASN A 9 5.000 -1.536 9.552 1.00 0.00 H new ATOM 0 HA ASN A 9 7.519 -1.507 8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.760 -3.427 9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.719 -4.213 8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.704 -4.204 10.293 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.731 -4.752 8.925 1.00 0.00 H new ATOM 129 N GLN A 10 5.213 -3.089 6.606 1.00 0.00 N ATOM 130 CA GLN A 10 4.869 -3.548 5.271 1.00 0.00 C ATOM 131 C GLN A 10 4.780 -2.362 4.309 1.00 0.00 C ATOM 132 O GLN A 10 5.055 -2.503 3.118 1.00 0.00 O ATOM 133 CB GLN A 10 3.562 -4.343 5.285 1.00 0.00 C ATOM 134 CG GLN A 10 2.454 -3.565 5.998 1.00 0.00 C ATOM 135 CD GLN A 10 1.784 -4.425 7.071 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.031 -5.342 6.787 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.099 -4.080 8.316 1.00 0.00 N ATOM 0 H GLN A 10 4.498 -3.260 7.313 1.00 0.00 H new ATOM 0 HA GLN A 10 5.657 -4.215 4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.256 -4.564 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.719 -5.299 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.871 -2.667 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.710 -3.237 5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.736 -3.301 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.703 -4.594 9.103 1.00 0.00 H new ATOM 146 N CYS A 11 4.396 -1.221 4.860 1.00 0.00 N ATOM 147 CA CYS A 11 4.267 -0.011 4.065 1.00 0.00 C ATOM 148 C CYS A 11 5.296 1.005 4.566 1.00 0.00 C ATOM 149 O CYS A 11 4.963 2.164 4.807 1.00 0.00 O ATOM 150 CB CYS A 11 2.844 0.548 4.112 1.00 0.00 C ATOM 151 SG CYS A 11 1.546 -0.687 4.485 1.00 0.00 S ATOM 0 H CYS A 11 4.170 -1.108 5.848 1.00 0.00 H new ATOM 0 HA CYS A 11 4.463 -0.239 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.803 1.336 4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.619 1.012 3.152 1.00 0.00 H new ATOM 156 N ALA A 12 6.526 0.532 4.709 1.00 0.00 N ATOM 157 CA ALA A 12 7.605 1.385 5.176 1.00 0.00 C ATOM 158 C ALA A 12 8.611 1.595 4.043 1.00 0.00 C ATOM 159 O ALA A 12 9.820 1.504 4.257 1.00 0.00 O ATOM 160 CB ALA A 12 8.247 0.762 6.418 1.00 0.00 C ATOM 0 H ALA A 12 6.799 -0.430 4.510 1.00 0.00 H new ATOM 0 HA ALA A 12 7.223 2.365 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.057 1.402 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.498 0.662 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.644 -0.222 6.168 1.00 0.00 H new ATOM 166 N VAL A 13 8.076 1.871 2.863 1.00 0.00 N ATOM 167 CA VAL A 13 8.913 2.094 1.696 1.00 0.00 C ATOM 168 C VAL A 13 9.328 3.566 1.645 1.00 0.00 C ATOM 169 O VAL A 13 8.577 4.441 2.072 1.00 0.00 O ATOM 170 CB VAL A 13 8.181 1.635 0.433 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.154 1.004 -0.565 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.046 0.669 0.777 1.00 0.00 C ATOM 0 H VAL A 13 7.074 1.945 2.690 1.00 0.00 H new ATOM 0 HA VAL A 13 9.826 1.501 1.761 1.00 0.00 H new ATOM 0 HB VAL A 13 7.741 2.514 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.609 0.686 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.912 1.735 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.636 0.140 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.542 0.358 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.454 -0.207 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.332 1.166 1.433 1.00 0.00 H new ATOM 182 N PRO A 14 10.554 3.799 1.105 1.00 0.00 N ATOM 183 CA PRO A 14 11.078 5.149 0.993 1.00 0.00 C ATOM 184 C PRO A 14 10.394 5.910 -0.145 1.00 0.00 C ATOM 185 O PRO A 14 10.720 7.067 -0.407 1.00 0.00 O ATOM 186 CB PRO A 14 12.572 4.975 0.777 1.00 0.00 C ATOM 187 CG PRO A 14 12.761 3.540 0.312 1.00 0.00 C ATOM 188 CD PRO A 14 11.470 2.787 0.589 1.00 0.00 C ATOM 0 HA PRO A 14 10.885 5.750 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.944 5.679 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.124 5.163 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.999 3.511 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.595 3.075 0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.079 2.324 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.626 1.987 1.313 1.00 0.00 H new ATOM 196 N ALA A 15 9.458 5.229 -0.790 1.00 0.00 N ATOM 197 CA ALA A 15 8.725 5.826 -1.894 1.00 0.00 C ATOM 198 C ALA A 15 9.466 5.547 -3.203 1.00 0.00 C ATOM 199 O ALA A 15 8.860 5.534 -4.273 1.00 0.00 O ATOM 200 CB ALA A 15 8.543 7.323 -1.635 1.00 0.00 C ATOM 0 H ALA A 15 9.190 4.270 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 15 7.731 5.386 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.993 7.771 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.986 7.467 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.520 7.799 -1.548 1.00 0.00 H new ATOM 206 N LYS A 16 10.767 5.329 -3.075 1.00 0.00 N ATOM 207 CA LYS A 16 11.597 5.051 -4.234 1.00 0.00 C ATOM 208 C LYS A 16 11.661 3.538 -4.458 1.00 0.00 C ATOM 209 O LYS A 16 12.509 3.054 -5.207 1.00 0.00 O ATOM 210 CB LYS A 16 12.969 5.709 -4.082 1.00 0.00 C ATOM 211 CG LYS A 16 13.752 5.083 -2.926 1.00 0.00 C ATOM 212 CD LYS A 16 14.628 3.929 -3.418 1.00 0.00 C ATOM 213 CE LYS A 16 16.112 4.242 -3.217 1.00 0.00 C ATOM 214 NZ LYS A 16 16.764 3.176 -2.425 1.00 0.00 N ATOM 0 H LYS A 16 11.266 5.339 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 16 11.158 5.489 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.533 5.601 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.846 6.778 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.376 5.841 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.059 4.720 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.369 3.017 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.432 3.743 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.604 4.337 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.222 5.200 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.771 3.404 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.305 3.105 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.675 2.268 -2.925 1.00 0.00 H new ATOM 228 N ASP A 17 10.755 2.835 -3.796 1.00 0.00 N ATOM 229 CA ASP A 17 10.698 1.388 -3.913 1.00 0.00 C ATOM 230 C ASP A 17 9.237 0.945 -4.009 1.00 0.00 C ATOM 231 O ASP A 17 8.925 -0.227 -3.801 1.00 0.00 O ATOM 232 CB ASP A 17 11.318 0.711 -2.689 1.00 0.00 C ATOM 233 CG ASP A 17 12.541 -0.161 -2.981 1.00 0.00 C ATOM 234 OD1 ASP A 17 13.652 0.410 -3.006 1.00 0.00 O ATOM 235 OD2 ASP A 17 12.336 -1.379 -3.174 1.00 0.00 O ATOM 0 H ASP A 17 10.054 3.241 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 17 11.255 1.100 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.603 1.481 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.558 0.095 -2.210 1.00 0.00 H new ATOM 240 N ARG A 18 8.380 1.905 -4.324 1.00 0.00 N ATOM 241 CA ARG A 18 6.959 1.629 -4.450 1.00 0.00 C ATOM 242 C ARG A 18 6.676 0.892 -5.760 1.00 0.00 C ATOM 243 O ARG A 18 7.003 1.386 -6.838 1.00 0.00 O ATOM 244 CB ARG A 18 6.141 2.921 -4.413 1.00 0.00 C ATOM 245 CG ARG A 18 6.610 3.834 -3.277 1.00 0.00 C ATOM 246 CD ARG A 18 6.317 3.206 -1.913 1.00 0.00 C ATOM 247 NE ARG A 18 6.359 4.244 -0.859 1.00 0.00 N ATOM 248 CZ ARG A 18 5.511 5.280 -0.789 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.550 5.421 -1.712 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.625 6.173 0.203 1.00 0.00 N ATOM 0 H ARG A 18 8.643 2.876 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 18 6.667 1.004 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.234 3.442 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.085 2.684 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.680 4.020 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.110 4.800 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.337 2.729 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.048 2.427 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 18 7.079 4.166 -0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.464 4.740 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.904 6.209 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.357 6.065 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.980 6.961 0.256 1.00 0.00 H new ATOM 264 N VAL A 19 6.071 -0.279 -5.625 1.00 0.00 N ATOM 265 CA VAL A 19 5.740 -1.089 -6.785 1.00 0.00 C ATOM 266 C VAL A 19 4.426 -0.593 -7.390 1.00 0.00 C ATOM 267 O VAL A 19 4.043 -1.012 -8.481 1.00 0.00 O ATOM 268 CB VAL A 19 5.697 -2.568 -6.395 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.351 -3.443 -7.601 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.018 -3.007 -5.760 1.00 0.00 C ATOM 0 H VAL A 19 5.801 -0.686 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 19 6.509 -0.990 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 19 4.910 -2.695 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.327 -4.489 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.374 -3.156 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.105 -3.308 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.960 -4.062 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.831 -2.857 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.205 -2.415 -4.864 1.00 0.00 H new ATOM 280 N ASP A 20 3.771 0.294 -6.655 1.00 0.00 N ATOM 281 CA ASP A 20 2.507 0.853 -7.106 1.00 0.00 C ATOM 282 C ASP A 20 1.518 -0.284 -7.373 1.00 0.00 C ATOM 283 O ASP A 20 1.673 -1.033 -8.335 1.00 0.00 O ATOM 284 CB ASP A 20 2.686 1.639 -8.407 1.00 0.00 C ATOM 285 CG ASP A 20 1.388 1.957 -9.153 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.454 2.448 -8.484 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.361 1.701 -10.377 1.00 0.00 O ATOM 0 H ASP A 20 4.092 0.639 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 20 2.137 1.521 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.197 2.575 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.339 1.072 -9.070 1.00 0.00 H new ATOM 292 N CYS A 21 0.523 -0.375 -6.502 1.00 0.00 N ATOM 293 CA CYS A 21 -0.491 -1.408 -6.632 1.00 0.00 C ATOM 294 C CYS A 21 -1.434 -1.015 -7.770 1.00 0.00 C ATOM 295 O CYS A 21 -2.262 -1.817 -8.201 1.00 0.00 O ATOM 296 CB CYS A 21 -1.243 -1.629 -5.318 1.00 0.00 C ATOM 297 SG CYS A 21 -1.346 -3.375 -4.777 1.00 0.00 S ATOM 0 H CYS A 21 0.398 0.249 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.016 -2.360 -6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.756 -1.049 -4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.254 -1.236 -5.424 1.00 0.00 H new ATOM 302 N GLY A 22 -1.279 0.220 -8.225 1.00 0.00 N ATOM 303 CA GLY A 22 -2.106 0.729 -9.306 1.00 0.00 C ATOM 304 C GLY A 22 -3.592 0.587 -8.971 1.00 0.00 C ATOM 305 O GLY A 22 -4.217 -0.414 -9.317 1.00 0.00 O ATOM 0 H GLY A 22 -0.593 0.883 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.869 1.777 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.883 0.188 -10.225 1.00 0.00 H new ATOM 309 N TYR A 23 -4.115 1.605 -8.303 1.00 0.00 N ATOM 310 CA TYR A 23 -5.516 1.606 -7.917 1.00 0.00 C ATOM 311 C TYR A 23 -6.054 3.034 -7.811 1.00 0.00 C ATOM 312 O TYR A 23 -5.323 3.951 -7.440 1.00 0.00 O ATOM 313 CB TYR A 23 -5.575 0.947 -6.538 1.00 0.00 C ATOM 314 CG TYR A 23 -6.781 0.026 -6.339 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.173 -0.826 -7.352 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.476 0.047 -5.147 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.307 -1.693 -7.165 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.611 -0.820 -4.960 1.00 0.00 C ATOM 319 CZ TYR A 23 -8.970 -1.647 -5.978 1.00 0.00 C ATOM 320 OH TYR A 23 -10.042 -2.466 -5.801 1.00 0.00 O ATOM 0 H TYR A 23 -3.594 2.435 -8.019 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.118 1.079 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.662 0.372 -6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.596 1.725 -5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.629 -0.842 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.169 0.713 -4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.624 -2.365 -7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.164 -0.813 -4.032 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.043 -3.158 -6.495 1.00 0.00 H new ATOM 330 N PRO A 24 -7.363 3.183 -8.151 1.00 0.00 N ATOM 331 CA PRO A 24 -8.007 4.484 -8.097 1.00 0.00 C ATOM 332 C PRO A 24 -8.301 4.891 -6.652 1.00 0.00 C ATOM 333 O PRO A 24 -7.505 5.589 -6.025 1.00 0.00 O ATOM 334 CB PRO A 24 -9.263 4.336 -8.940 1.00 0.00 C ATOM 335 CG PRO A 24 -9.518 2.842 -9.050 1.00 0.00 C ATOM 336 CD PRO A 24 -8.260 2.120 -8.594 1.00 0.00 C ATOM 0 HA PRO A 24 -7.375 5.283 -8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.108 4.843 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.127 4.782 -9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.369 2.553 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.763 2.571 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.475 1.421 -7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.819 1.542 -9.406 1.00 0.00 H new ATOM 344 N HIS A 25 -9.446 4.437 -6.164 1.00 0.00 N ATOM 345 CA HIS A 25 -9.855 4.745 -4.805 1.00 0.00 C ATOM 346 C HIS A 25 -8.802 4.230 -3.822 1.00 0.00 C ATOM 347 O HIS A 25 -8.933 3.131 -3.285 1.00 0.00 O ATOM 348 CB HIS A 25 -11.253 4.192 -4.519 1.00 0.00 C ATOM 349 CG HIS A 25 -11.427 2.740 -4.895 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.662 2.181 -5.174 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.511 1.739 -5.036 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.485 0.901 -5.467 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.151 0.629 -5.380 1.00 0.00 N ATOM 0 H HIS A 25 -10.103 3.858 -6.686 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.922 5.826 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.469 4.310 -3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.987 4.788 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.445 1.834 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.261 0.197 -5.729 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.717 -0.278 -5.551 1.00 0.00 H new ATOM 362 N VAL A 26 -7.780 5.048 -3.617 1.00 0.00 N ATOM 363 CA VAL A 26 -6.704 4.688 -2.709 1.00 0.00 C ATOM 364 C VAL A 26 -6.736 5.617 -1.494 1.00 0.00 C ATOM 365 O VAL A 26 -6.563 6.828 -1.630 1.00 0.00 O ATOM 366 CB VAL A 26 -5.364 4.716 -3.448 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.331 3.668 -4.563 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.071 6.112 -3.999 1.00 0.00 C ATOM 0 H VAL A 26 -7.674 5.959 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.837 3.670 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.581 4.468 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.368 3.709 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.473 2.676 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.128 3.872 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.113 6.104 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.859 6.402 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.031 6.827 -3.177 1.00 0.00 H new ATOM 378 N THR A 27 -6.958 5.016 -0.335 1.00 0.00 N ATOM 379 CA THR A 27 -7.014 5.775 0.903 1.00 0.00 C ATOM 380 C THR A 27 -6.289 5.025 2.022 1.00 0.00 C ATOM 381 O THR A 27 -5.861 3.886 1.835 1.00 0.00 O ATOM 382 CB THR A 27 -8.485 6.059 1.216 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.916 4.905 1.933 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.360 6.068 -0.039 1.00 0.00 C ATOM 0 H THR A 27 -7.101 4.012 -0.227 1.00 0.00 H new ATOM 0 HA THR A 27 -6.496 6.729 0.806 1.00 0.00 H new ATOM 0 HB THR A 27 -8.569 7.020 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.724 5.120 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.393 6.274 0.239 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.008 6.840 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.303 5.096 -0.529 1.00 0.00 H new ATOM 392 N PRO A 28 -6.169 5.711 3.190 1.00 0.00 N ATOM 393 CA PRO A 28 -5.502 5.122 4.339 1.00 0.00 C ATOM 394 C PRO A 28 -6.389 4.070 5.008 1.00 0.00 C ATOM 395 O PRO A 28 -6.390 3.940 6.231 1.00 0.00 O ATOM 396 CB PRO A 28 -5.181 6.295 5.251 1.00 0.00 C ATOM 397 CG PRO A 28 -6.085 7.431 4.803 1.00 0.00 C ATOM 398 CD PRO A 28 -6.663 7.061 3.447 1.00 0.00 C ATOM 0 HA PRO A 28 -4.593 4.585 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.363 6.039 6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.131 6.576 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.884 7.591 5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.523 8.363 4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.753 7.088 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.336 7.756 2.674 1.00 0.00 H new ATOM 406 N LYS A 29 -7.123 3.346 4.176 1.00 0.00 N ATOM 407 CA LYS A 29 -8.013 2.309 4.671 1.00 0.00 C ATOM 408 C LYS A 29 -8.617 1.552 3.487 1.00 0.00 C ATOM 409 O LYS A 29 -8.787 0.336 3.544 1.00 0.00 O ATOM 410 CB LYS A 29 -9.057 2.906 5.617 1.00 0.00 C ATOM 411 CG LYS A 29 -9.536 1.867 6.632 1.00 0.00 C ATOM 412 CD LYS A 29 -10.775 1.130 6.120 1.00 0.00 C ATOM 413 CE LYS A 29 -10.832 -0.296 6.672 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.075 -0.502 7.449 1.00 0.00 N ATOM 0 H LYS A 29 -7.120 3.457 3.162 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.458 1.582 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.631 3.762 6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.906 3.275 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.738 1.151 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.765 2.357 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.673 1.674 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.761 1.102 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.786 -1.012 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.965 -0.482 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.098 -1.475 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.103 0.169 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.899 -0.345 6.834 1.00 0.00 H new ATOM 428 N GLU A 30 -8.925 2.305 2.440 1.00 0.00 N ATOM 429 CA GLU A 30 -9.507 1.720 1.244 1.00 0.00 C ATOM 430 C GLU A 30 -8.420 1.060 0.393 1.00 0.00 C ATOM 431 O GLU A 30 -8.657 0.026 -0.229 1.00 0.00 O ATOM 432 CB GLU A 30 -10.273 2.771 0.437 1.00 0.00 C ATOM 433 CG GLU A 30 -11.581 2.196 -0.110 1.00 0.00 C ATOM 434 CD GLU A 30 -12.735 2.435 0.865 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.094 3.620 1.041 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.233 1.428 1.413 1.00 0.00 O ATOM 0 H GLU A 30 -8.782 3.314 2.396 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.219 0.953 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.487 3.634 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.654 3.124 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.811 2.656 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.466 1.127 -0.288 1.00 0.00 H new ATOM 443 N CYS A 31 -7.252 1.685 0.394 1.00 0.00 N ATOM 444 CA CYS A 31 -6.128 1.171 -0.370 1.00 0.00 C ATOM 445 C CYS A 31 -5.515 0.003 0.404 1.00 0.00 C ATOM 446 O CYS A 31 -4.901 -0.884 -0.187 1.00 0.00 O ATOM 447 CB CYS A 31 -5.098 2.264 -0.665 1.00 0.00 C ATOM 448 SG CYS A 31 -3.402 1.653 -0.986 1.00 0.00 S ATOM 0 H CYS A 31 -7.060 2.543 0.912 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.475 0.819 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.433 2.836 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.067 2.953 0.179 1.00 0.00 H new ATOM 453 N ASN A 32 -5.702 0.040 1.715 1.00 0.00 N ATOM 454 CA ASN A 32 -5.175 -1.005 2.576 1.00 0.00 C ATOM 455 C ASN A 32 -6.270 -2.039 2.845 1.00 0.00 C ATOM 456 O ASN A 32 -6.060 -2.990 3.597 1.00 0.00 O ATOM 457 CB ASN A 32 -4.724 -0.434 3.922 1.00 0.00 C ATOM 458 CG ASN A 32 -5.780 -0.676 5.003 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.968 -0.489 4.799 1.00 0.00 O ATOM 460 ND2 ASN A 32 -5.282 -1.101 6.160 1.00 0.00 N ATOM 0 H ASN A 32 -6.211 0.777 2.202 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.322 -1.459 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.782 -0.895 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.538 0.635 3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.906 -1.291 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.276 -1.237 6.263 1.00 0.00 H new ATOM 467 N ASN A 33 -7.416 -1.818 2.216 1.00 0.00 N ATOM 468 CA ASN A 33 -8.544 -2.719 2.378 1.00 0.00 C ATOM 469 C ASN A 33 -8.599 -3.680 1.189 1.00 0.00 C ATOM 470 O ASN A 33 -8.804 -4.880 1.364 1.00 0.00 O ATOM 471 CB ASN A 33 -9.864 -1.946 2.423 1.00 0.00 C ATOM 472 CG ASN A 33 -11.055 -2.882 2.204 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.014 -4.062 2.508 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.114 -2.289 1.661 1.00 0.00 N ATOM 0 H ASN A 33 -7.587 -1.028 1.594 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.411 -3.261 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.963 -1.444 3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.861 -1.170 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.960 -2.827 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.080 -1.296 1.431 1.00 0.00 H new ATOM 481 N ARG A 34 -8.412 -3.116 0.004 1.00 0.00 N ATOM 482 CA ARG A 34 -8.438 -3.907 -1.214 1.00 0.00 C ATOM 483 C ARG A 34 -7.437 -5.060 -1.119 1.00 0.00 C ATOM 484 O ARG A 34 -7.684 -6.146 -1.641 1.00 0.00 O ATOM 485 CB ARG A 34 -8.103 -3.049 -2.435 1.00 0.00 C ATOM 486 CG ARG A 34 -8.822 -3.566 -3.683 1.00 0.00 C ATOM 487 CD ARG A 34 -8.885 -5.094 -3.685 1.00 0.00 C ATOM 488 NE ARG A 34 -9.602 -5.569 -4.890 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.588 -6.838 -5.321 1.00 0.00 C ATOM 490 NH1 ARG A 34 -8.892 -7.766 -4.650 1.00 0.00 N ATOM 491 NH2 ARG A 34 -10.268 -7.178 -6.425 1.00 0.00 N ATOM 0 H ARG A 34 -8.242 -2.120 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.446 -4.305 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.391 -2.015 -2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.026 -3.054 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.832 -3.157 -3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.303 -3.219 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.877 -5.508 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.392 -5.447 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.140 -4.888 -5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.373 -7.507 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.881 -8.732 -4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.796 -6.471 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.258 -8.144 -6.753 1.00 0.00 H new ATOM 505 N GLY A 35 -6.327 -4.785 -0.450 1.00 0.00 N ATOM 506 CA GLY A 35 -5.288 -5.785 -0.280 1.00 0.00 C ATOM 507 C GLY A 35 -3.937 -5.262 -0.772 1.00 0.00 C ATOM 508 O GLY A 35 -3.422 -5.724 -1.790 1.00 0.00 O ATOM 0 H GLY A 35 -6.125 -3.883 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.214 -6.062 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.554 -6.688 -0.829 1.00 0.00 H new ATOM 512 N CYS A 36 -3.402 -4.306 -0.028 1.00 0.00 N ATOM 513 CA CYS A 36 -2.121 -3.715 -0.376 1.00 0.00 C ATOM 514 C CYS A 36 -1.739 -2.716 0.719 1.00 0.00 C ATOM 515 O CYS A 36 -2.191 -2.834 1.857 1.00 0.00 O ATOM 516 CB CYS A 36 -2.157 -3.059 -1.758 1.00 0.00 C ATOM 517 SG CYS A 36 -0.819 -3.583 -2.891 1.00 0.00 S ATOM 0 H CYS A 36 -3.832 -3.926 0.815 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.363 -4.496 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.117 -3.280 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.105 -1.977 -1.633 1.00 0.00 H new ATOM 522 N CYS A 37 -0.910 -1.756 0.337 1.00 0.00 N ATOM 523 CA CYS A 37 -0.463 -0.738 1.272 1.00 0.00 C ATOM 524 C CYS A 37 -0.823 0.634 0.697 1.00 0.00 C ATOM 525 O CYS A 37 -0.862 0.811 -0.519 1.00 0.00 O ATOM 526 CB CYS A 37 1.034 -0.858 1.565 1.00 0.00 C ATOM 527 SG CYS A 37 1.462 -2.029 2.904 1.00 0.00 S ATOM 0 H CYS A 37 -0.536 -1.662 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.967 -0.874 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.545 -1.168 0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.419 0.128 1.827 1.00 0.00 H new ATOM 532 N PHE A 38 -1.078 1.570 1.600 1.00 0.00 N ATOM 533 CA PHE A 38 -1.433 2.920 1.198 1.00 0.00 C ATOM 534 C PHE A 38 -0.407 3.933 1.710 1.00 0.00 C ATOM 535 O PHE A 38 0.500 3.577 2.461 1.00 0.00 O ATOM 536 CB PHE A 38 -2.794 3.229 1.826 1.00 0.00 C ATOM 537 CG PHE A 38 -3.233 4.687 1.674 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.799 5.109 0.512 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.056 5.561 2.701 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.206 6.463 0.370 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.462 6.914 2.559 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.029 7.337 1.397 1.00 0.00 C ATOM 0 H PHE A 38 -1.046 1.420 2.608 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.460 2.990 0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.547 2.584 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.758 2.980 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.939 4.415 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.607 5.226 3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.656 6.798 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.321 7.608 3.374 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.338 8.366 1.290 1.00 0.00 H new ATOM 552 N ASP A 39 -0.585 5.175 1.284 1.00 0.00 N ATOM 553 CA ASP A 39 0.314 6.241 1.690 1.00 0.00 C ATOM 554 C ASP A 39 -0.188 7.570 1.121 1.00 0.00 C ATOM 555 O ASP A 39 -0.769 7.606 0.037 1.00 0.00 O ATOM 556 CB ASP A 39 1.728 6.003 1.155 1.00 0.00 C ATOM 557 CG ASP A 39 2.667 7.207 1.250 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.167 7.450 2.370 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.863 7.858 0.201 1.00 0.00 O ATOM 0 H ASP A 39 -1.339 5.467 0.662 1.00 0.00 H new ATOM 0 HA ASP A 39 0.339 6.264 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.172 5.171 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.658 5.697 0.111 1.00 0.00 H new ATOM 564 N SER A 40 0.053 8.630 1.879 1.00 0.00 N ATOM 565 CA SER A 40 -0.368 9.958 1.464 1.00 0.00 C ATOM 566 C SER A 40 0.740 10.972 1.754 1.00 0.00 C ATOM 567 O SER A 40 0.512 12.180 1.696 1.00 0.00 O ATOM 568 CB SER A 40 -1.663 10.369 2.167 1.00 0.00 C ATOM 569 OG SER A 40 -1.487 10.501 3.575 1.00 0.00 O ATOM 0 H SER A 40 0.534 8.596 2.778 1.00 0.00 H new ATOM 0 HA SER A 40 -0.560 9.937 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.015 11.315 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.436 9.627 1.966 1.00 0.00 H new ATOM 0 HG SER A 40 -2.336 10.766 3.987 1.00 0.00 H new ATOM 575 N ARG A 41 1.916 10.445 2.061 1.00 0.00 N ATOM 576 CA ARG A 41 3.060 11.290 2.361 1.00 0.00 C ATOM 577 C ARG A 41 3.382 12.191 1.167 1.00 0.00 C ATOM 578 O ARG A 41 3.514 13.404 1.318 1.00 0.00 O ATOM 579 CB ARG A 41 4.291 10.449 2.702 1.00 0.00 C ATOM 580 CG ARG A 41 5.136 11.127 3.783 1.00 0.00 C ATOM 581 CD ARG A 41 6.394 11.756 3.181 1.00 0.00 C ATOM 582 NE ARG A 41 7.129 12.512 4.220 1.00 0.00 N ATOM 583 CZ ARG A 41 7.897 11.945 5.160 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.036 10.613 5.198 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.526 12.710 6.062 1.00 0.00 N ATOM 0 H ARG A 41 2.102 9.443 2.109 1.00 0.00 H new ATOM 0 HA ARG A 41 2.802 11.903 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.978 9.463 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.893 10.299 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.545 11.894 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.418 10.396 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.035 10.979 2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.122 12.420 2.361 1.00 0.00 H new ATOM 0 HE ARG A 41 7.045 13.529 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.557 10.030 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.621 10.181 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.420 13.724 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.111 12.278 6.778 1.00 0.00 H new ATOM 599 N ILE A 42 3.498 11.562 0.006 1.00 0.00 N ATOM 600 CA ILE A 42 3.802 12.292 -1.213 1.00 0.00 C ATOM 601 C ILE A 42 3.016 11.683 -2.376 1.00 0.00 C ATOM 602 O ILE A 42 2.948 10.463 -2.513 1.00 0.00 O ATOM 603 CB ILE A 42 5.313 12.337 -1.449 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.015 11.186 -0.725 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.889 13.698 -1.055 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.525 9.832 -1.243 1.00 0.00 C ATOM 0 H ILE A 42 3.387 10.555 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 42 3.486 13.331 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 42 5.496 12.207 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.093 11.265 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.829 11.258 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.964 13.703 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.419 14.479 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.695 13.883 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.040 9.031 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.451 9.746 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.735 9.753 -2.310 1.00 0.00 H new ATOM 618 N PRO A 43 2.426 12.585 -3.206 1.00 0.00 N ATOM 619 CA PRO A 43 1.647 12.150 -4.353 1.00 0.00 C ATOM 620 C PRO A 43 2.559 11.657 -5.479 1.00 0.00 C ATOM 621 O PRO A 43 2.226 10.701 -6.178 1.00 0.00 O ATOM 622 CB PRO A 43 0.817 13.360 -4.747 1.00 0.00 C ATOM 623 CG PRO A 43 1.497 14.559 -4.106 1.00 0.00 C ATOM 624 CD PRO A 43 2.485 14.038 -3.075 1.00 0.00 C ATOM 0 HA PRO A 43 1.003 11.300 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.775 13.468 -5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.210 13.260 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.011 15.155 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.760 15.209 -3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.491 14.412 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.212 14.356 -2.069 1.00 0.00 H new ATOM 632 N GLY A 44 3.690 12.332 -5.619 1.00 0.00 N ATOM 633 CA GLY A 44 4.651 11.975 -6.649 1.00 0.00 C ATOM 634 C GLY A 44 4.733 10.457 -6.821 1.00 0.00 C ATOM 635 O GLY A 44 4.699 9.953 -7.942 1.00 0.00 O ATOM 0 H GLY A 44 3.963 13.124 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.365 12.437 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.633 12.368 -6.387 1.00 0.00 H new ATOM 639 N VAL A 45 4.838 9.771 -5.692 1.00 0.00 N ATOM 640 CA VAL A 45 4.925 8.320 -5.704 1.00 0.00 C ATOM 641 C VAL A 45 3.513 7.730 -5.705 1.00 0.00 C ATOM 642 O VAL A 45 2.535 8.450 -5.514 1.00 0.00 O ATOM 643 CB VAL A 45 5.773 7.837 -4.526 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.861 8.857 -4.179 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.899 7.533 -3.308 1.00 0.00 C ATOM 0 H VAL A 45 4.865 10.193 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 45 5.424 7.974 -6.610 1.00 0.00 H new ATOM 0 HB VAL A 45 6.264 6.911 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.450 8.489 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.512 9.003 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.397 9.806 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.527 7.192 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.367 8.436 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.179 6.755 -3.562 1.00 0.00 H new ATOM 655 N PRO A 46 3.451 6.390 -5.929 1.00 0.00 N ATOM 656 CA PRO A 46 2.176 5.694 -5.958 1.00 0.00 C ATOM 657 C PRO A 46 1.614 5.519 -4.545 1.00 0.00 C ATOM 658 O PRO A 46 1.886 4.518 -3.885 1.00 0.00 O ATOM 659 CB PRO A 46 2.464 4.372 -6.650 1.00 0.00 C ATOM 660 CG PRO A 46 3.970 4.178 -6.567 1.00 0.00 C ATOM 661 CD PRO A 46 4.589 5.505 -6.160 1.00 0.00 C ATOM 0 HA PRO A 46 1.407 6.249 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.937 3.552 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.129 4.393 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.216 3.403 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.366 3.851 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.197 5.399 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.241 5.894 -6.942 1.00 0.00 H new ATOM 669 N TRP A 47 0.841 6.509 -4.124 1.00 0.00 N ATOM 670 CA TRP A 47 0.239 6.477 -2.802 1.00 0.00 C ATOM 671 C TRP A 47 0.035 5.012 -2.410 1.00 0.00 C ATOM 672 O TRP A 47 0.535 4.565 -1.380 1.00 0.00 O ATOM 673 CB TRP A 47 -1.056 7.291 -2.769 1.00 0.00 C ATOM 674 CG TRP A 47 -0.858 8.761 -2.394 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.229 9.522 -2.584 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.822 9.623 -1.753 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.037 10.805 -2.114 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.250 10.868 -1.592 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.134 9.358 -1.323 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.917 11.947 -1.000 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.787 10.447 -0.733 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.226 11.707 -0.564 1.00 0.00 C ATOM 0 H TRP A 47 0.618 7.338 -4.675 1.00 0.00 H new ATOM 0 HA TRP A 47 0.895 6.945 -2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.532 7.237 -3.748 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.742 6.834 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.141 9.174 -3.047 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.715 11.567 -2.144 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.601 8.391 -1.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.447 12.913 -0.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.798 10.297 -0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.797 12.497 -0.099 1.00 0.00 H new ATOM 693 N CYS A 48 -0.702 4.305 -3.255 1.00 0.00 N ATOM 694 CA CYS A 48 -0.979 2.900 -3.010 1.00 0.00 C ATOM 695 C CYS A 48 0.125 2.071 -3.669 1.00 0.00 C ATOM 696 O CYS A 48 0.329 2.153 -4.879 1.00 0.00 O ATOM 697 CB CYS A 48 -2.369 2.501 -3.512 1.00 0.00 C ATOM 698 SG CYS A 48 -3.059 0.991 -2.742 1.00 0.00 S ATOM 0 H CYS A 48 -1.115 4.679 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.984 2.710 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.056 3.329 -3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.321 2.353 -4.591 1.00 0.00 H new ATOM 703 N PHE A 49 0.808 1.291 -2.844 1.00 0.00 N ATOM 704 CA PHE A 49 1.886 0.447 -3.331 1.00 0.00 C ATOM 705 C PHE A 49 1.912 -0.892 -2.592 1.00 0.00 C ATOM 706 O PHE A 49 1.271 -1.043 -1.552 1.00 0.00 O ATOM 707 CB PHE A 49 3.194 1.192 -3.059 1.00 0.00 C ATOM 708 CG PHE A 49 3.298 1.774 -1.648 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.496 0.948 -0.585 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.191 3.116 -1.456 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.592 1.488 0.725 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.287 3.656 -0.146 1.00 0.00 C ATOM 713 CZ PHE A 49 3.486 2.830 0.917 1.00 0.00 C ATOM 0 H PHE A 49 0.636 1.226 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 49 1.747 0.242 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.029 0.510 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.297 2.001 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.580 -0.118 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.033 3.771 -2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.749 0.833 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.202 4.722 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.560 3.240 1.913 1.00 0.00 H new ATOM 723 N LYS A 50 2.659 -1.829 -3.156 1.00 0.00 N ATOM 724 CA LYS A 50 2.777 -3.150 -2.563 1.00 0.00 C ATOM 725 C LYS A 50 3.585 -3.053 -1.268 1.00 0.00 C ATOM 726 O LYS A 50 4.246 -2.046 -1.019 1.00 0.00 O ATOM 727 CB LYS A 50 3.353 -4.142 -3.575 1.00 0.00 C ATOM 728 CG LYS A 50 2.634 -4.033 -4.921 1.00 0.00 C ATOM 729 CD LYS A 50 3.124 -5.108 -5.894 1.00 0.00 C ATOM 730 CE LYS A 50 2.277 -6.377 -5.780 1.00 0.00 C ATOM 731 NZ LYS A 50 2.350 -7.162 -7.033 1.00 0.00 N ATOM 0 H LYS A 50 3.189 -1.700 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 50 1.794 -3.537 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.418 -3.951 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.258 -5.157 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.559 -4.135 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.804 -3.045 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.080 -4.727 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.168 -5.343 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.628 -6.982 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.241 -6.112 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.770 -8.020 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.994 -6.588 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.338 -7.430 -7.217 1.00 0.00 H new ATOM 745 N PRO A 51 3.504 -4.141 -0.457 1.00 0.00 N ATOM 746 CA PRO A 51 4.220 -4.188 0.807 1.00 0.00 C ATOM 747 C PRO A 51 5.715 -4.425 0.581 1.00 0.00 C ATOM 748 O PRO A 51 6.100 -5.364 -0.114 1.00 0.00 O ATOM 749 CB PRO A 51 3.554 -5.304 1.595 1.00 0.00 C ATOM 750 CG PRO A 51 2.804 -6.145 0.575 1.00 0.00 C ATOM 751 CD PRO A 51 2.731 -5.352 -0.719 1.00 0.00 C ATOM 0 HA PRO A 51 4.169 -3.247 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.294 -5.903 2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.873 -4.900 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.315 -7.094 0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.803 -6.380 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.149 -5.916 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.700 -5.115 -0.980 1.00 0.00 H new ATOM 759 N LEU A 52 6.516 -3.557 1.182 1.00 0.00 N ATOM 760 CA LEU A 52 7.960 -3.660 1.055 1.00 0.00 C ATOM 761 C LEU A 52 8.359 -5.136 0.998 1.00 0.00 C ATOM 762 O LEU A 52 7.840 -5.953 1.757 1.00 0.00 O ATOM 763 CB LEU A 52 8.652 -2.879 2.174 1.00 0.00 C ATOM 764 CG LEU A 52 10.113 -3.246 2.443 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.856 -2.087 3.111 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.213 -4.537 3.258 1.00 0.00 C ATOM 0 H LEU A 52 6.193 -2.780 1.758 1.00 0.00 H new ATOM 0 HA LEU A 52 8.294 -3.203 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.603 -1.817 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.086 -3.023 3.094 1.00 0.00 H new ATOM 0 HG LEU A 52 10.600 -3.431 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.892 -2.374 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.830 -1.214 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.376 -1.846 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.262 -4.775 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.705 -4.405 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.744 -5.352 2.707 1.00 0.00 H new ATOM 778 N GLN A 53 9.276 -5.433 0.089 1.00 0.00 N ATOM 779 CA GLN A 53 9.750 -6.796 -0.078 1.00 0.00 C ATOM 780 C GLN A 53 10.386 -7.299 1.220 1.00 0.00 C ATOM 781 O GLN A 53 11.606 -7.267 1.370 1.00 0.00 O ATOM 782 CB GLN A 53 10.734 -6.895 -1.245 1.00 0.00 C ATOM 783 CG GLN A 53 10.058 -7.488 -2.483 1.00 0.00 C ATOM 784 CD GLN A 53 9.762 -6.402 -3.519 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.133 -6.495 -4.678 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.075 -5.369 -3.039 1.00 0.00 N ATOM 0 H GLN A 53 9.703 -4.753 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 53 8.896 -7.431 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.127 -5.906 -1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.583 -7.515 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.701 -8.250 -2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.131 -7.982 -2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.795 -5.354 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.828 -4.592 -3.652 1.00 0.00 H new ATOM 795 N GLU A 54 9.530 -7.753 2.124 1.00 0.00 N ATOM 796 CA GLU A 54 9.993 -8.262 3.403 1.00 0.00 C ATOM 797 C GLU A 54 10.955 -9.433 3.192 1.00 0.00 C ATOM 798 O GLU A 54 10.524 -10.561 2.959 1.00 0.00 O ATOM 799 CB GLU A 54 8.815 -8.674 4.288 1.00 0.00 C ATOM 800 CG GLU A 54 8.021 -9.815 3.649 1.00 0.00 C ATOM 801 CD GLU A 54 8.101 -11.083 4.501 1.00 0.00 C ATOM 802 OE1 GLU A 54 7.284 -11.187 5.441 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.977 -11.920 4.192 1.00 0.00 O ATOM 0 H GLU A 54 8.518 -7.779 1.996 1.00 0.00 H new ATOM 0 HA GLU A 54 10.530 -7.464 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.182 -8.985 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.161 -7.817 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.979 -9.517 3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.409 -10.018 2.651 1.00 0.00 H new ATOM 810 N ALA A 55 12.241 -9.124 3.281 1.00 0.00 N ATOM 811 CA ALA A 55 13.267 -10.137 3.102 1.00 0.00 C ATOM 812 C ALA A 55 14.419 -9.867 4.073 1.00 0.00 C ATOM 813 O ALA A 55 15.247 -8.990 3.830 1.00 0.00 O ATOM 814 CB ALA A 55 13.726 -10.147 1.642 1.00 0.00 C ATOM 0 H ALA A 55 12.595 -8.187 3.475 1.00 0.00 H new ATOM 0 HA ALA A 55 12.871 -11.128 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.496 -10.907 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.878 -10.372 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.132 -9.170 1.382 1.00 0.00 H new ATOM 820 N GLU A 56 14.434 -10.636 5.151 1.00 0.00 N ATOM 821 CA GLU A 56 15.470 -10.490 6.160 1.00 0.00 C ATOM 822 C GLU A 56 15.959 -11.864 6.621 1.00 0.00 C ATOM 823 O GLU A 56 17.144 -12.176 6.507 1.00 0.00 O ATOM 824 CB GLU A 56 14.969 -9.661 7.344 1.00 0.00 C ATOM 825 CG GLU A 56 14.743 -8.203 6.936 1.00 0.00 C ATOM 826 CD GLU A 56 15.066 -7.254 8.092 1.00 0.00 C ATOM 827 OE1 GLU A 56 14.155 -7.039 8.921 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.215 -6.765 8.120 1.00 0.00 O ATOM 0 H GLU A 56 13.746 -11.362 5.348 1.00 0.00 H new ATOM 0 HA GLU A 56 16.310 -9.957 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.039 -10.085 7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.693 -9.707 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.368 -7.961 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.707 -8.065 6.626 1.00 0.00 H new ATOM 835 N CYS A 57 15.022 -12.650 7.131 1.00 0.00 N ATOM 836 CA CYS A 57 15.343 -13.984 7.609 1.00 0.00 C ATOM 837 C CYS A 57 14.254 -14.943 7.124 1.00 0.00 C ATOM 838 O CYS A 57 13.088 -14.565 7.022 1.00 0.00 O ATOM 839 CB CYS A 57 15.496 -14.018 9.131 1.00 0.00 C ATOM 840 SG CYS A 57 16.868 -13.000 9.788 1.00 0.00 S ATOM 0 H CYS A 57 14.040 -12.388 7.224 1.00 0.00 H new ATOM 0 HA CYS A 57 16.306 -14.295 7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.563 -13.681 9.583 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.647 -15.051 9.444 1.00 0.00 H new ATOM 0 HG CYS A 57 17.436 -12.355 8.812 1.00 0.00 H new ATOM 845 N THR A 58 14.674 -16.167 6.837 1.00 0.00 N ATOM 846 CA THR A 58 13.749 -17.183 6.364 1.00 0.00 C ATOM 847 C THR A 58 13.151 -16.775 5.016 1.00 0.00 C ATOM 848 O THR A 58 13.160 -15.598 4.660 1.00 0.00 O ATOM 849 CB THR A 58 12.698 -17.409 7.452 1.00 0.00 C ATOM 850 OG1 THR A 58 13.418 -18.045 8.505 1.00 0.00 O ATOM 851 CG2 THR A 58 11.644 -18.441 7.044 1.00 0.00 C ATOM 0 H THR A 58 15.642 -16.478 6.923 1.00 0.00 H new ATOM 0 HA THR A 58 14.259 -18.129 6.184 1.00 0.00 H new ATOM 0 HB THR A 58 12.208 -16.463 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.811 -18.226 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.923 -18.563 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.129 -18.099 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.129 -19.396 6.843 1.00 0.00 H new ATOM 859 N PHE A 59 12.645 -17.771 4.303 1.00 0.00 N ATOM 860 CA PHE A 59 12.044 -17.530 3.003 1.00 0.00 C ATOM 861 C PHE A 59 13.011 -16.783 2.082 1.00 0.00 C ATOM 862 O PHE A 59 13.596 -17.377 1.176 1.00 0.00 O ATOM 863 CB PHE A 59 10.807 -16.662 3.236 1.00 0.00 C ATOM 864 CG PHE A 59 9.810 -16.675 2.075 1.00 0.00 C ATOM 865 CD1 PHE A 59 10.210 -16.302 0.830 1.00 0.00 C ATOM 866 CD2 PHE A 59 8.523 -17.059 2.289 1.00 0.00 C ATOM 867 CE1 PHE A 59 9.285 -16.314 -0.247 1.00 0.00 C ATOM 868 CE2 PHE A 59 7.597 -17.071 1.212 1.00 0.00 C ATOM 869 CZ PHE A 59 7.998 -16.698 -0.034 1.00 0.00 C ATOM 0 H PHE A 59 12.639 -18.746 4.601 1.00 0.00 H new ATOM 0 HA PHE A 59 11.792 -18.478 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.301 -17.003 4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.125 -15.635 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.232 -15.996 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.205 -17.355 3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.604 -16.018 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.575 -17.376 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.294 -16.707 -0.853 1.00 0.00 H new TER 879 PHE A 59