USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 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 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 7 SER OG : rot -15:sc= 0.193 USER MOD Single : A 9 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.33) USER MOD Single : A 10 GLN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -160:sc= 0.0726 USER MOD Single : A 25 HIS : no HE2:sc= -8.91! C(o=-8.9!,f=-6!) USER MOD Single : A 27 THR OG1 : rot 144:sc= -0.837 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.99! C(o=-5!,f=-15!) USER MOD Single : A 33 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.5) 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= -1.29 X(o=-1.3,f=-0.84) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.092 -9.260 19.677 1.00 0.00 N ATOM 2 CA GLU A 1 10.513 -10.651 19.660 1.00 0.00 C ATOM 3 C GLU A 1 10.903 -11.070 18.242 1.00 0.00 C ATOM 4 O GLU A 1 12.072 -11.336 17.969 1.00 0.00 O ATOM 5 CB GLU A 1 9.418 -11.561 20.220 1.00 0.00 C ATOM 6 CG GLU A 1 9.767 -12.035 21.632 1.00 0.00 C ATOM 7 CD GLU A 1 8.557 -12.681 22.309 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.458 -12.098 22.183 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.758 -13.743 22.938 1.00 0.00 O ATOM 0 H1 GLU A 1 9.830 -8.988 20.646 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.873 -8.657 19.348 1.00 0.00 H new ATOM 0 H3 GLU A 1 9.272 -9.138 19.049 1.00 0.00 H new ATOM 0 HA GLU A 1 11.388 -10.754 20.301 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.469 -11.026 20.237 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.286 -12.423 19.566 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.588 -12.751 21.587 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.113 -11.190 22.228 1.00 0.00 H new ATOM 16 N GLU A 2 9.901 -11.116 17.376 1.00 0.00 N ATOM 17 CA GLU A 2 10.125 -11.499 15.992 1.00 0.00 C ATOM 18 C GLU A 2 8.791 -11.783 15.298 1.00 0.00 C ATOM 19 O GLU A 2 8.529 -12.913 14.888 1.00 0.00 O ATOM 20 CB GLU A 2 11.058 -12.708 15.902 1.00 0.00 C ATOM 21 CG GLU A 2 12.420 -12.308 15.330 1.00 0.00 C ATOM 22 CD GLU A 2 13.409 -13.473 15.404 1.00 0.00 C ATOM 23 OE1 GLU A 2 13.244 -14.409 14.593 1.00 0.00 O ATOM 24 OE2 GLU A 2 14.308 -13.400 16.269 1.00 0.00 O ATOM 0 H GLU A 2 8.932 -10.894 17.606 1.00 0.00 H new ATOM 0 HA GLU A 2 10.610 -10.668 15.479 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.189 -13.145 16.892 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.606 -13.475 15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.304 -11.990 14.294 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.815 -11.456 15.883 1.00 0.00 H new ATOM 31 N TYR A 3 7.984 -10.738 15.186 1.00 0.00 N ATOM 32 CA TYR A 3 6.685 -10.861 14.548 1.00 0.00 C ATOM 33 C TYR A 3 6.019 -9.492 14.393 1.00 0.00 C ATOM 34 O TYR A 3 5.502 -8.935 15.360 1.00 0.00 O ATOM 35 CB TYR A 3 5.836 -11.724 15.484 1.00 0.00 C ATOM 36 CG TYR A 3 4.350 -11.758 15.121 1.00 0.00 C ATOM 37 CD1 TYR A 3 3.940 -12.354 13.946 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.419 -11.193 15.970 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.541 -12.386 13.605 1.00 0.00 C ATOM 40 CE2 TYR A 3 2.021 -11.225 15.629 1.00 0.00 C ATOM 41 CZ TYR A 3 1.650 -11.820 14.463 1.00 0.00 C ATOM 42 OH TYR A 3 0.329 -11.850 14.141 1.00 0.00 O ATOM 0 H TYR A 3 8.205 -9.802 15.527 1.00 0.00 H new ATOM 0 HA TYR A 3 6.785 -11.296 13.554 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.225 -12.742 15.476 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.942 -11.350 16.502 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.668 -12.796 13.282 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.740 -10.727 16.890 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.207 -12.849 12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.283 -10.786 16.284 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.190 -11.410 14.846 1.00 0.00 H new ATOM 52 N VAL A 4 6.053 -8.989 13.168 1.00 0.00 N ATOM 53 CA VAL A 4 5.459 -7.696 12.873 1.00 0.00 C ATOM 54 C VAL A 4 4.541 -7.827 11.656 1.00 0.00 C ATOM 55 O VAL A 4 4.286 -8.933 11.182 1.00 0.00 O ATOM 56 CB VAL A 4 6.557 -6.647 12.683 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.123 -6.195 14.031 1.00 0.00 C ATOM 58 CG2 VAL A 4 7.667 -7.174 11.771 1.00 0.00 C ATOM 0 H VAL A 4 6.483 -9.453 12.368 1.00 0.00 H new ATOM 0 HA VAL A 4 4.846 -7.358 13.708 1.00 0.00 H new ATOM 0 HB VAL A 4 6.110 -5.778 12.199 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.901 -5.450 13.867 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.325 -5.760 14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.546 -7.053 14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.434 -6.409 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.109 -8.066 12.214 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.249 -7.423 10.796 1.00 0.00 H new ATOM 68 N GLY A 5 4.069 -6.682 11.185 1.00 0.00 N ATOM 69 CA GLY A 5 3.184 -6.654 10.033 1.00 0.00 C ATOM 70 C GLY A 5 2.186 -5.499 10.135 1.00 0.00 C ATOM 71 O GLY A 5 2.417 -4.425 9.581 1.00 0.00 O ATOM 0 H GLY A 5 4.283 -5.766 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.772 -6.552 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.646 -7.599 9.961 1.00 0.00 H new ATOM 75 N LEU A 6 1.100 -5.758 10.847 1.00 0.00 N ATOM 76 CA LEU A 6 0.066 -4.752 11.028 1.00 0.00 C ATOM 77 C LEU A 6 0.719 -3.376 11.169 1.00 0.00 C ATOM 78 O LEU A 6 1.637 -3.199 11.969 1.00 0.00 O ATOM 79 CB LEU A 6 -0.843 -5.124 12.201 1.00 0.00 C ATOM 80 CG LEU A 6 -0.250 -4.930 13.598 1.00 0.00 C ATOM 81 CD1 LEU A 6 1.111 -5.619 13.717 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.173 -3.445 13.959 1.00 0.00 C ATOM 0 H LEU A 6 0.913 -6.650 11.306 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.582 -4.710 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.755 -4.532 12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.133 -6.169 12.093 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.915 -5.404 14.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.510 -5.465 14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.996 -6.687 13.532 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.798 -5.196 12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.252 -3.335 14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.458 -2.927 13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.174 -3.014 13.941 1.00 0.00 H new ATOM 94 N SER A 7 0.221 -2.436 10.379 1.00 0.00 N ATOM 95 CA SER A 7 0.744 -1.081 10.406 1.00 0.00 C ATOM 96 C SER A 7 2.223 -1.084 10.013 1.00 0.00 C ATOM 97 O SER A 7 2.980 -1.957 10.436 1.00 0.00 O ATOM 98 CB SER A 7 0.562 -0.447 11.786 1.00 0.00 C ATOM 99 OG SER A 7 1.508 -0.943 12.730 1.00 0.00 O ATOM 0 H SER A 7 -0.539 -2.586 9.716 1.00 0.00 H new ATOM 0 HA SER A 7 0.184 -0.484 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.664 0.635 11.704 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.448 -0.645 12.146 1.00 0.00 H new ATOM 0 HG SER A 7 1.930 -1.753 12.376 1.00 0.00 H new ATOM 105 N ALA A 8 2.591 -0.097 9.210 1.00 0.00 N ATOM 106 CA ALA A 8 3.966 0.026 8.756 1.00 0.00 C ATOM 107 C ALA A 8 4.518 -1.364 8.433 1.00 0.00 C ATOM 108 O ALA A 8 3.755 -2.305 8.220 1.00 0.00 O ATOM 109 CB ALA A 8 4.793 0.749 9.821 1.00 0.00 C ATOM 0 H ALA A 8 1.961 0.625 8.862 1.00 0.00 H new ATOM 0 HA ALA A 8 4.017 0.621 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.824 0.841 9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.377 1.742 9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.767 0.180 10.750 1.00 0.00 H new ATOM 115 N ASN A 9 5.840 -1.450 8.408 1.00 0.00 N ATOM 116 CA ASN A 9 6.503 -2.709 8.114 1.00 0.00 C ATOM 117 C ASN A 9 6.220 -3.103 6.663 1.00 0.00 C ATOM 118 O ASN A 9 7.142 -3.220 5.857 1.00 0.00 O ATOM 119 CB ASN A 9 5.983 -3.829 9.018 1.00 0.00 C ATOM 120 CG ASN A 9 6.063 -3.425 10.492 1.00 0.00 C ATOM 121 OD1 ASN A 9 5.162 -2.817 11.045 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.188 -3.797 11.094 1.00 0.00 N ATOM 0 H ASN A 9 6.470 -0.668 8.587 1.00 0.00 H new ATOM 0 HA ASN A 9 7.571 -2.575 8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.951 -4.063 8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.566 -4.735 8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.337 -3.575 12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.902 -4.304 10.572 1.00 0.00 H new ATOM 129 N GLN A 10 4.942 -3.298 6.374 1.00 0.00 N ATOM 130 CA GLN A 10 4.527 -3.677 5.035 1.00 0.00 C ATOM 131 C GLN A 10 4.517 -2.453 4.116 1.00 0.00 C ATOM 132 O GLN A 10 4.809 -2.563 2.926 1.00 0.00 O ATOM 133 CB GLN A 10 3.157 -4.357 5.057 1.00 0.00 C ATOM 134 CG GLN A 10 2.105 -3.450 5.699 1.00 0.00 C ATOM 135 CD GLN A 10 1.709 -3.964 7.084 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.793 -5.144 7.384 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.274 -3.016 7.909 1.00 0.00 N ATOM 0 H GLN A 10 4.180 -3.200 7.045 1.00 0.00 H new ATOM 0 HA GLN A 10 5.246 -4.396 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.855 -4.607 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.221 -5.294 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.496 -2.436 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.223 -3.401 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.229 -2.047 7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.986 -3.258 8.857 1.00 0.00 H new ATOM 146 N CYS A 11 4.178 -1.315 4.703 1.00 0.00 N ATOM 147 CA CYS A 11 4.127 -0.072 3.953 1.00 0.00 C ATOM 148 C CYS A 11 5.166 0.886 4.538 1.00 0.00 C ATOM 149 O CYS A 11 4.892 2.073 4.713 1.00 0.00 O ATOM 150 CB CYS A 11 2.722 0.535 3.960 1.00 0.00 C ATOM 151 SG CYS A 11 1.376 -0.650 4.322 1.00 0.00 S ATOM 0 H CYS A 11 3.936 -1.228 5.690 1.00 0.00 H new ATOM 0 HA CYS A 11 4.363 -0.266 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.691 1.335 4.699 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.534 0.991 2.988 1.00 0.00 H new ATOM 156 N ALA A 12 6.336 0.336 4.825 1.00 0.00 N ATOM 157 CA ALA A 12 7.418 1.127 5.387 1.00 0.00 C ATOM 158 C ALA A 12 8.413 1.482 4.280 1.00 0.00 C ATOM 159 O ALA A 12 9.622 1.488 4.507 1.00 0.00 O ATOM 160 CB ALA A 12 8.072 0.355 6.534 1.00 0.00 C ATOM 0 H ALA A 12 6.559 -0.649 4.679 1.00 0.00 H new ATOM 0 HA ALA A 12 7.037 2.061 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.884 0.948 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.330 0.154 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.469 -0.588 6.158 1.00 0.00 H new ATOM 166 N VAL A 13 7.867 1.769 3.108 1.00 0.00 N ATOM 167 CA VAL A 13 8.692 2.124 1.965 1.00 0.00 C ATOM 168 C VAL A 13 8.869 3.643 1.922 1.00 0.00 C ATOM 169 O VAL A 13 8.008 4.386 2.392 1.00 0.00 O ATOM 170 CB VAL A 13 8.082 1.556 0.682 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.156 0.915 -0.199 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.966 0.559 1.001 1.00 0.00 C ATOM 0 H VAL A 13 6.864 1.763 2.925 1.00 0.00 H new ATOM 0 HA VAL A 13 9.685 1.684 2.059 1.00 0.00 H new ATOM 0 HB VAL A 13 7.643 2.383 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.696 0.519 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.901 1.664 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.638 0.104 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.549 0.170 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.371 -0.264 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.182 1.060 1.569 1.00 0.00 H new ATOM 182 N PRO A 14 10.020 4.071 1.338 1.00 0.00 N ATOM 183 CA PRO A 14 10.321 5.489 1.227 1.00 0.00 C ATOM 184 C PRO A 14 9.480 6.143 0.129 1.00 0.00 C ATOM 185 O PRO A 14 8.742 7.091 0.390 1.00 0.00 O ATOM 186 CB PRO A 14 11.814 5.553 0.950 1.00 0.00 C ATOM 187 CG PRO A 14 12.207 4.170 0.456 1.00 0.00 C ATOM 188 CD PRO A 14 11.063 3.221 0.771 1.00 0.00 C ATOM 0 HA PRO A 14 10.073 6.044 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.040 6.313 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.367 5.817 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.403 4.189 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.124 3.837 0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.713 2.711 -0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.372 2.449 1.476 1.00 0.00 H new ATOM 196 N ALA A 15 9.621 5.611 -1.076 1.00 0.00 N ATOM 197 CA ALA A 15 8.884 6.131 -2.215 1.00 0.00 C ATOM 198 C ALA A 15 9.580 5.701 -3.508 1.00 0.00 C ATOM 199 O ALA A 15 8.957 5.657 -4.567 1.00 0.00 O ATOM 200 CB ALA A 15 8.765 7.652 -2.095 1.00 0.00 C ATOM 0 H ALA A 15 10.235 4.825 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 15 7.873 5.725 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.212 8.042 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.237 7.904 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.761 8.094 -2.075 1.00 0.00 H new ATOM 206 N LYS A 16 10.863 5.395 -3.378 1.00 0.00 N ATOM 207 CA LYS A 16 11.651 4.971 -4.522 1.00 0.00 C ATOM 208 C LYS A 16 11.640 3.443 -4.604 1.00 0.00 C ATOM 209 O LYS A 16 12.308 2.859 -5.456 1.00 0.00 O ATOM 210 CB LYS A 16 13.056 5.573 -4.459 1.00 0.00 C ATOM 211 CG LYS A 16 13.842 5.007 -3.275 1.00 0.00 C ATOM 212 CD LYS A 16 14.594 3.736 -3.673 1.00 0.00 C ATOM 213 CE LYS A 16 16.038 3.771 -3.167 1.00 0.00 C ATOM 214 NZ LYS A 16 16.518 2.403 -2.874 1.00 0.00 N ATOM 0 H LYS A 16 11.376 5.432 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 16 11.211 5.344 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.588 5.363 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.987 6.657 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.549 5.754 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.161 4.788 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.083 2.864 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.588 3.630 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.680 4.236 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.100 4.385 -2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.499 2.445 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.915 1.972 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.478 1.828 -3.740 1.00 0.00 H new ATOM 228 N ASP A 17 10.874 2.839 -3.708 1.00 0.00 N ATOM 229 CA ASP A 17 10.767 1.391 -3.668 1.00 0.00 C ATOM 230 C ASP A 17 9.303 0.986 -3.856 1.00 0.00 C ATOM 231 O ASP A 17 8.948 -0.177 -3.669 1.00 0.00 O ATOM 232 CB ASP A 17 11.241 0.840 -2.322 1.00 0.00 C ATOM 233 CG ASP A 17 12.583 0.106 -2.360 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.874 -0.489 -3.420 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.286 0.156 -1.328 1.00 0.00 O ATOM 0 H ASP A 17 10.321 3.327 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 17 11.392 0.985 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.316 1.666 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.482 0.159 -1.938 1.00 0.00 H new ATOM 240 N ARG A 18 8.493 1.968 -4.223 1.00 0.00 N ATOM 241 CA ARG A 18 7.076 1.729 -4.438 1.00 0.00 C ATOM 242 C ARG A 18 6.855 1.019 -5.775 1.00 0.00 C ATOM 243 O ARG A 18 7.260 1.520 -6.823 1.00 0.00 O ATOM 244 CB ARG A 18 6.289 3.041 -4.428 1.00 0.00 C ATOM 245 CG ARG A 18 6.785 3.970 -3.318 1.00 0.00 C ATOM 246 CD ARG A 18 6.574 3.340 -1.940 1.00 0.00 C ATOM 247 NE ARG A 18 6.810 4.346 -0.882 1.00 0.00 N ATOM 248 CZ ARG A 18 6.053 5.436 -0.699 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.006 5.667 -1.503 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.342 6.295 0.288 1.00 0.00 N ATOM 0 H ARG A 18 8.791 2.931 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 18 6.718 1.098 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.389 3.537 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.229 2.832 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.843 4.185 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.256 4.921 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.560 2.949 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.252 2.497 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 18 7.599 4.201 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.786 5.013 -2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.429 6.497 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.139 6.119 0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.765 7.125 0.427 1.00 0.00 H new ATOM 264 N VAL A 19 6.212 -0.137 -5.695 1.00 0.00 N ATOM 265 CA VAL A 19 5.931 -0.921 -6.886 1.00 0.00 C ATOM 266 C VAL A 19 4.592 -0.479 -7.478 1.00 0.00 C ATOM 267 O VAL A 19 4.229 -0.893 -8.578 1.00 0.00 O ATOM 268 CB VAL A 19 5.973 -2.414 -6.551 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.998 -3.260 -7.825 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.168 -2.741 -5.652 1.00 0.00 C ATOM 0 H VAL A 19 5.878 -0.549 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 19 6.694 -0.750 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 19 5.064 -2.660 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.028 -4.317 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.103 -3.059 -8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.882 -3.008 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.174 -3.808 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.092 -2.472 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.089 -2.177 -4.723 1.00 0.00 H new ATOM 280 N ASP A 20 3.894 0.357 -6.724 1.00 0.00 N ATOM 281 CA ASP A 20 2.603 0.860 -7.161 1.00 0.00 C ATOM 282 C ASP A 20 1.658 -0.318 -7.406 1.00 0.00 C ATOM 283 O ASP A 20 1.893 -1.131 -8.298 1.00 0.00 O ATOM 284 CB ASP A 20 2.731 1.644 -8.469 1.00 0.00 C ATOM 285 CG ASP A 20 1.415 1.878 -9.213 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.380 1.975 -8.520 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.475 1.955 -10.460 1.00 0.00 O ATOM 0 H ASP A 20 4.198 0.699 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 20 2.217 1.518 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.186 2.611 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.415 1.111 -9.129 1.00 0.00 H new ATOM 292 N CYS A 21 0.609 -0.372 -6.598 1.00 0.00 N ATOM 293 CA CYS A 21 -0.372 -1.437 -6.716 1.00 0.00 C ATOM 294 C CYS A 21 -1.368 -1.053 -7.812 1.00 0.00 C ATOM 295 O CYS A 21 -1.985 -1.921 -8.427 1.00 0.00 O ATOM 296 CB CYS A 21 -1.070 -1.713 -5.382 1.00 0.00 C ATOM 297 SG CYS A 21 -1.390 -3.481 -5.036 1.00 0.00 S ATOM 0 H CYS A 21 0.417 0.305 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 21 0.127 -2.367 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.459 -1.304 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.019 -1.177 -5.366 1.00 0.00 H new ATOM 302 N GLY A 22 -1.494 0.249 -8.023 1.00 0.00 N ATOM 303 CA GLY A 22 -2.404 0.758 -9.035 1.00 0.00 C ATOM 304 C GLY A 22 -3.860 0.611 -8.587 1.00 0.00 C ATOM 305 O GLY A 22 -4.493 -0.410 -8.847 1.00 0.00 O ATOM 0 H GLY A 22 -0.981 0.967 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.185 1.807 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.251 0.220 -9.970 1.00 0.00 H new ATOM 309 N TYR A 23 -4.348 1.647 -7.920 1.00 0.00 N ATOM 310 CA TYR A 23 -5.717 1.646 -7.433 1.00 0.00 C ATOM 311 C TYR A 23 -6.383 3.003 -7.669 1.00 0.00 C ATOM 312 O TYR A 23 -5.718 4.038 -7.648 1.00 0.00 O ATOM 313 CB TYR A 23 -5.629 1.390 -5.928 1.00 0.00 C ATOM 314 CG TYR A 23 -5.686 -0.090 -5.544 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.858 -0.800 -5.708 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.566 -0.715 -5.034 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.913 -2.193 -5.347 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.621 -2.108 -4.674 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.791 -2.779 -4.848 1.00 0.00 C ATOM 320 OH TYR A 23 -5.842 -4.094 -4.507 1.00 0.00 O ATOM 0 H TYR A 23 -3.820 2.493 -7.706 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.308 0.891 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.700 1.817 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.445 1.915 -5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.734 -0.311 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.649 -0.159 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.824 -2.760 -5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.752 -2.609 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.106 -4.302 -3.895 1.00 0.00 H new ATOM 330 N PRO A 24 -7.724 2.954 -7.894 1.00 0.00 N ATOM 331 CA PRO A 24 -8.488 4.166 -8.134 1.00 0.00 C ATOM 332 C PRO A 24 -8.700 4.946 -6.835 1.00 0.00 C ATOM 333 O PRO A 24 -8.055 5.969 -6.608 1.00 0.00 O ATOM 334 CB PRO A 24 -9.789 3.693 -8.763 1.00 0.00 C ATOM 335 CG PRO A 24 -9.901 2.215 -8.427 1.00 0.00 C ATOM 336 CD PRO A 24 -8.544 1.746 -7.927 1.00 0.00 C ATOM 0 HA PRO A 24 -7.973 4.864 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.639 4.249 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.781 3.849 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.665 2.053 -7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.201 1.645 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.621 1.292 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.116 0.994 -8.590 1.00 0.00 H new ATOM 344 N HIS A 25 -9.607 4.433 -6.016 1.00 0.00 N ATOM 345 CA HIS A 25 -9.912 5.069 -4.746 1.00 0.00 C ATOM 346 C HIS A 25 -8.982 4.522 -3.661 1.00 0.00 C ATOM 347 O HIS A 25 -9.341 3.592 -2.941 1.00 0.00 O ATOM 348 CB HIS A 25 -11.392 4.901 -4.396 1.00 0.00 C ATOM 349 CG HIS A 25 -11.774 3.496 -3.996 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.947 3.200 -3.324 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.126 2.310 -4.182 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.992 1.892 -3.118 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.863 1.342 -3.650 1.00 0.00 N ATOM 0 H HIS A 25 -10.140 3.585 -6.207 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.735 6.142 -4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.641 5.580 -3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.994 5.199 -5.254 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -13.656 3.874 -3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.175 2.180 -4.678 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.784 1.355 -2.617 1.00 0.00 H new ATOM 362 N VAL A 26 -7.804 5.123 -3.579 1.00 0.00 N ATOM 363 CA VAL A 26 -6.819 4.708 -2.595 1.00 0.00 C ATOM 364 C VAL A 26 -6.931 5.602 -1.359 1.00 0.00 C ATOM 365 O VAL A 26 -7.118 6.812 -1.478 1.00 0.00 O ATOM 366 CB VAL A 26 -5.421 4.720 -3.216 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.303 3.669 -4.323 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.066 6.112 -3.742 1.00 0.00 C ATOM 0 H VAL A 26 -7.510 5.894 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.009 3.684 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.706 4.465 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.300 3.699 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.492 2.679 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.034 3.879 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.067 6.092 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.788 6.409 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.089 6.828 -2.921 1.00 0.00 H new ATOM 378 N THR A 27 -6.813 4.973 -0.199 1.00 0.00 N ATOM 379 CA THR A 27 -6.899 5.696 1.058 1.00 0.00 C ATOM 380 C THR A 27 -6.080 4.988 2.139 1.00 0.00 C ATOM 381 O THR A 27 -5.565 3.893 1.915 1.00 0.00 O ATOM 382 CB THR A 27 -8.378 5.846 1.417 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.705 4.618 2.062 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.281 5.870 0.182 1.00 0.00 C ATOM 0 H THR A 27 -6.658 3.969 -0.103 1.00 0.00 H new ATOM 0 HA THR A 27 -6.468 6.693 0.970 1.00 0.00 H new ATOM 0 HB THR A 27 -8.521 6.763 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.343 4.789 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.320 5.978 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.004 6.710 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.163 4.939 -0.373 1.00 0.00 H new ATOM 392 N PRO A 28 -5.982 5.658 3.318 1.00 0.00 N ATOM 393 CA PRO A 28 -5.234 5.104 4.434 1.00 0.00 C ATOM 394 C PRO A 28 -6.010 3.968 5.104 1.00 0.00 C ATOM 395 O PRO A 28 -5.978 3.826 6.325 1.00 0.00 O ATOM 396 CB PRO A 28 -4.984 6.281 5.363 1.00 0.00 C ATOM 397 CG PRO A 28 -5.993 7.347 4.966 1.00 0.00 C ATOM 398 CD PRO A 28 -6.579 6.956 3.619 1.00 0.00 C ATOM 0 HA PRO A 28 -4.292 4.650 4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.113 5.990 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.964 6.651 5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.780 7.426 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.512 8.323 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.666 6.891 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.335 7.691 2.852 1.00 0.00 H new ATOM 406 N LYS A 29 -6.690 3.189 4.275 1.00 0.00 N ATOM 407 CA LYS A 29 -7.472 2.070 4.772 1.00 0.00 C ATOM 408 C LYS A 29 -8.093 1.323 3.590 1.00 0.00 C ATOM 409 O LYS A 29 -7.917 0.113 3.455 1.00 0.00 O ATOM 410 CB LYS A 29 -8.497 2.549 5.803 1.00 0.00 C ATOM 411 CG LYS A 29 -8.835 1.437 6.797 1.00 0.00 C ATOM 412 CD LYS A 29 -9.927 0.520 6.244 1.00 0.00 C ATOM 413 CE LYS A 29 -10.823 -0.006 7.367 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.121 0.705 7.371 1.00 0.00 N ATOM 0 H LYS A 29 -6.715 3.311 3.263 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.832 1.361 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.103 3.413 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.404 2.875 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.940 0.853 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.165 1.875 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.530 1.064 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.471 -0.317 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.988 -1.076 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.326 0.126 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.717 0.336 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.959 1.722 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.600 0.558 6.460 1.00 0.00 H new ATOM 428 N GLU A 30 -8.806 2.074 2.764 1.00 0.00 N ATOM 429 CA GLU A 30 -9.454 1.498 1.598 1.00 0.00 C ATOM 430 C GLU A 30 -8.409 0.905 0.650 1.00 0.00 C ATOM 431 O GLU A 30 -8.666 -0.099 -0.012 1.00 0.00 O ATOM 432 CB GLU A 30 -10.318 2.537 0.881 1.00 0.00 C ATOM 433 CG GLU A 30 -10.997 1.931 -0.349 1.00 0.00 C ATOM 434 CD GLU A 30 -12.464 2.357 -0.432 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.698 3.585 -0.452 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.318 1.445 -0.473 1.00 0.00 O ATOM 0 H GLU A 30 -8.949 3.077 2.879 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.112 0.695 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.074 2.921 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.701 3.383 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.472 2.246 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.932 0.844 -0.306 1.00 0.00 H new ATOM 443 N CYS A 31 -7.254 1.553 0.614 1.00 0.00 N ATOM 444 CA CYS A 31 -6.170 1.103 -0.242 1.00 0.00 C ATOM 445 C CYS A 31 -5.502 -0.103 0.422 1.00 0.00 C ATOM 446 O CYS A 31 -5.091 -1.043 -0.258 1.00 0.00 O ATOM 447 CB CYS A 31 -5.169 2.225 -0.525 1.00 0.00 C ATOM 448 SG CYS A 31 -3.489 1.658 -0.978 1.00 0.00 S ATOM 0 H CYS A 31 -7.045 2.386 1.164 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.569 0.808 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.558 2.845 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.097 2.860 0.358 1.00 0.00 H new ATOM 453 N ASN A 32 -5.415 -0.038 1.742 1.00 0.00 N ATOM 454 CA ASN A 32 -4.804 -1.113 2.506 1.00 0.00 C ATOM 455 C ASN A 32 -5.841 -2.212 2.751 1.00 0.00 C ATOM 456 O ASN A 32 -5.516 -3.266 3.296 1.00 0.00 O ATOM 457 CB ASN A 32 -4.315 -0.613 3.866 1.00 0.00 C ATOM 458 CG ASN A 32 -3.724 0.793 3.753 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.332 1.710 3.227 1.00 0.00 O ATOM 460 ND2 ASN A 32 -2.506 0.912 4.276 1.00 0.00 N ATOM 0 H ASN A 32 -5.757 0.742 2.303 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.956 -1.493 1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.143 -0.607 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.563 -1.297 4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.026 1.812 4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.053 0.104 4.702 1.00 0.00 H new ATOM 467 N ASN A 33 -7.067 -1.927 2.337 1.00 0.00 N ATOM 468 CA ASN A 33 -8.153 -2.878 2.504 1.00 0.00 C ATOM 469 C ASN A 33 -8.401 -3.601 1.179 1.00 0.00 C ATOM 470 O ASN A 33 -8.697 -4.795 1.165 1.00 0.00 O ATOM 471 CB ASN A 33 -9.448 -2.169 2.906 1.00 0.00 C ATOM 472 CG ASN A 33 -10.561 -3.180 3.188 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.364 -4.384 3.157 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.738 -2.626 3.463 1.00 0.00 N ATOM 0 H ASN A 33 -7.332 -1.051 1.886 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.868 -3.581 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.273 -1.559 3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.759 -1.493 2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.545 -3.216 3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.834 -1.611 3.472 1.00 0.00 H new ATOM 481 N ARG A 34 -8.271 -2.847 0.097 1.00 0.00 N ATOM 482 CA ARG A 34 -8.478 -3.401 -1.230 1.00 0.00 C ATOM 483 C ARG A 34 -7.530 -4.579 -1.467 1.00 0.00 C ATOM 484 O ARG A 34 -7.826 -5.467 -2.265 1.00 0.00 O ATOM 485 CB ARG A 34 -8.246 -2.344 -2.311 1.00 0.00 C ATOM 486 CG ARG A 34 -9.245 -2.504 -3.458 1.00 0.00 C ATOM 487 CD ARG A 34 -10.676 -2.247 -2.980 1.00 0.00 C ATOM 488 NE ARG A 34 -11.601 -2.232 -4.135 1.00 0.00 N ATOM 489 CZ ARG A 34 -11.977 -3.327 -4.811 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.509 -4.530 -4.451 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.820 -3.218 -5.846 1.00 0.00 N ATOM 0 H ARG A 34 -8.025 -1.857 0.112 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.511 -3.743 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.341 -1.348 -1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.229 -2.429 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.996 -1.810 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.171 -3.510 -3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.976 -3.020 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.726 -1.295 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.976 -1.332 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.867 -4.612 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.795 -5.363 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.176 -2.302 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.106 -4.051 -6.361 1.00 0.00 H new ATOM 505 N GLY A 35 -6.410 -4.547 -0.760 1.00 0.00 N ATOM 506 CA GLY A 35 -5.417 -5.601 -0.883 1.00 0.00 C ATOM 507 C GLY A 35 -4.067 -5.033 -1.325 1.00 0.00 C ATOM 508 O GLY A 35 -3.645 -5.238 -2.462 1.00 0.00 O ATOM 0 H GLY A 35 -6.168 -3.808 -0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.305 -6.113 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.757 -6.344 -1.605 1.00 0.00 H new ATOM 512 N CYS A 36 -3.427 -4.330 -0.402 1.00 0.00 N ATOM 513 CA CYS A 36 -2.133 -3.730 -0.682 1.00 0.00 C ATOM 514 C CYS A 36 -1.800 -2.757 0.450 1.00 0.00 C ATOM 515 O CYS A 36 -2.330 -2.877 1.553 1.00 0.00 O ATOM 516 CB CYS A 36 -2.111 -3.045 -2.050 1.00 0.00 C ATOM 517 SG CYS A 36 -0.787 -3.619 -3.175 1.00 0.00 S ATOM 0 H CYS A 36 -3.780 -4.162 0.540 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.370 -4.508 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.074 -3.203 -2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.001 -1.971 -1.901 1.00 0.00 H new ATOM 522 N CYS A 37 -0.922 -1.814 0.138 1.00 0.00 N ATOM 523 CA CYS A 37 -0.511 -0.821 1.115 1.00 0.00 C ATOM 524 C CYS A 37 -0.856 0.565 0.566 1.00 0.00 C ATOM 525 O CYS A 37 -0.939 0.752 -0.647 1.00 0.00 O ATOM 526 CB CYS A 37 0.974 -0.945 1.459 1.00 0.00 C ATOM 527 SG CYS A 37 1.349 -2.071 2.852 1.00 0.00 S ATOM 0 H CYS A 37 -0.484 -1.717 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.047 -0.984 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.509 -1.293 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.361 0.046 1.697 1.00 0.00 H new ATOM 532 N PHE A 38 -1.048 1.500 1.485 1.00 0.00 N ATOM 533 CA PHE A 38 -1.382 2.863 1.107 1.00 0.00 C ATOM 534 C PHE A 38 -0.305 3.842 1.579 1.00 0.00 C ATOM 535 O PHE A 38 0.634 3.452 2.271 1.00 0.00 O ATOM 536 CB PHE A 38 -2.704 3.207 1.796 1.00 0.00 C ATOM 537 CG PHE A 38 -3.126 4.669 1.638 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.795 5.066 0.522 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.832 5.571 2.612 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.187 6.423 0.376 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.224 6.928 2.466 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.893 7.325 1.350 1.00 0.00 C ATOM 0 H PHE A 38 -0.979 1.341 2.490 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.456 2.941 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.489 2.567 1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.619 2.977 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.028 4.350 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.300 5.255 3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.719 6.739 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.991 7.644 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.191 8.357 1.238 1.00 0.00 H new ATOM 552 N ASP A 39 -0.477 5.095 1.186 1.00 0.00 N ATOM 553 CA ASP A 39 0.469 6.134 1.560 1.00 0.00 C ATOM 554 C ASP A 39 0.037 7.461 0.932 1.00 0.00 C ATOM 555 O ASP A 39 -0.419 7.492 -0.210 1.00 0.00 O ATOM 556 CB ASP A 39 1.875 5.806 1.053 1.00 0.00 C ATOM 557 CG ASP A 39 2.933 6.870 1.351 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.287 7.001 2.543 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.365 7.529 0.381 1.00 0.00 O ATOM 0 H ASP A 39 -1.257 5.415 0.612 1.00 0.00 H new ATOM 0 HA ASP A 39 0.484 6.201 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.194 4.863 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.830 5.652 -0.025 1.00 0.00 H new ATOM 564 N SER A 40 0.196 8.524 1.706 1.00 0.00 N ATOM 565 CA SER A 40 -0.171 9.850 1.241 1.00 0.00 C ATOM 566 C SER A 40 0.919 10.857 1.614 1.00 0.00 C ATOM 567 O SER A 40 0.679 12.063 1.623 1.00 0.00 O ATOM 568 CB SER A 40 -1.517 10.286 1.824 1.00 0.00 C ATOM 569 OG SER A 40 -1.477 10.385 3.244 1.00 0.00 O ATOM 0 H SER A 40 0.574 8.494 2.653 1.00 0.00 H new ATOM 0 HA SER A 40 -0.269 9.816 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.800 11.250 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.287 9.572 1.532 1.00 0.00 H new ATOM 0 HG SER A 40 -2.354 10.667 3.577 1.00 0.00 H new ATOM 575 N ARG A 41 2.095 10.324 1.913 1.00 0.00 N ATOM 576 CA ARG A 41 3.223 11.160 2.286 1.00 0.00 C ATOM 577 C ARG A 41 3.654 12.029 1.102 1.00 0.00 C ATOM 578 O ARG A 41 4.078 13.169 1.286 1.00 0.00 O ATOM 579 CB ARG A 41 4.410 10.311 2.745 1.00 0.00 C ATOM 580 CG ARG A 41 5.192 11.018 3.854 1.00 0.00 C ATOM 581 CD ARG A 41 5.834 10.004 4.804 1.00 0.00 C ATOM 582 NE ARG A 41 7.283 10.278 4.932 1.00 0.00 N ATOM 583 CZ ARG A 41 8.186 9.372 5.331 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.795 8.129 5.644 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.480 9.709 5.418 1.00 0.00 N ATOM 0 H ARG A 41 2.291 9.323 1.904 1.00 0.00 H new ATOM 0 HA ARG A 41 2.905 11.796 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.054 9.346 3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.069 10.113 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.964 11.649 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.525 11.674 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.357 10.058 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.678 8.992 4.429 1.00 0.00 H new ATOM 0 HE ARG A 41 7.615 11.215 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.810 7.873 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.482 7.439 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.778 10.655 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.167 9.019 5.722 1.00 0.00 H new ATOM 599 N ILE A 42 3.530 11.457 -0.086 1.00 0.00 N ATOM 600 CA ILE A 42 3.901 12.165 -1.300 1.00 0.00 C ATOM 601 C ILE A 42 3.113 11.594 -2.480 1.00 0.00 C ATOM 602 O ILE A 42 3.058 10.379 -2.665 1.00 0.00 O ATOM 603 CB ILE A 42 5.418 12.128 -1.499 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.036 10.926 -0.782 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.060 13.447 -1.064 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.503 9.612 -1.356 1.00 0.00 C ATOM 0 H ILE A 42 3.178 10.511 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 42 3.638 13.220 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 42 5.620 12.007 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.121 10.957 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.812 10.979 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.138 13.394 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.650 14.264 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.850 13.623 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.958 8.774 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.421 9.574 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.750 9.551 -2.416 1.00 0.00 H new ATOM 618 N PRO A 43 2.506 12.521 -3.268 1.00 0.00 N ATOM 619 CA PRO A 43 1.723 12.123 -4.425 1.00 0.00 C ATOM 620 C PRO A 43 2.630 11.686 -5.578 1.00 0.00 C ATOM 621 O PRO A 43 2.279 10.790 -6.343 1.00 0.00 O ATOM 622 CB PRO A 43 0.875 13.338 -4.764 1.00 0.00 C ATOM 623 CG PRO A 43 1.547 14.518 -4.081 1.00 0.00 C ATOM 624 CD PRO A 43 2.549 13.968 -3.080 1.00 0.00 C ATOM 0 HA PRO A 43 1.092 11.256 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.822 13.489 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.148 13.212 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.048 15.149 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.807 15.140 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.549 14.361 -3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.281 14.243 -2.060 1.00 0.00 H new ATOM 632 N GLY A 44 3.779 12.340 -5.665 1.00 0.00 N ATOM 633 CA GLY A 44 4.739 12.031 -6.710 1.00 0.00 C ATOM 634 C GLY A 44 4.864 10.519 -6.910 1.00 0.00 C ATOM 635 O GLY A 44 5.000 10.048 -8.038 1.00 0.00 O ATOM 0 H GLY A 44 4.067 13.083 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.429 12.501 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.712 12.449 -6.450 1.00 0.00 H new ATOM 639 N VAL A 45 4.814 9.802 -5.797 1.00 0.00 N ATOM 640 CA VAL A 45 4.920 8.353 -5.836 1.00 0.00 C ATOM 641 C VAL A 45 3.518 7.742 -5.802 1.00 0.00 C ATOM 642 O VAL A 45 2.533 8.451 -5.603 1.00 0.00 O ATOM 643 CB VAL A 45 5.814 7.864 -4.694 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.913 8.881 -4.383 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.986 7.551 -3.446 1.00 0.00 C ATOM 0 H VAL A 45 4.702 10.197 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 45 5.393 8.029 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 45 6.295 6.941 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.533 8.508 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.530 9.032 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.460 9.828 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.645 7.206 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.464 8.451 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.258 6.773 -3.678 1.00 0.00 H new ATOM 655 N PRO A 46 3.472 6.398 -6.003 1.00 0.00 N ATOM 656 CA PRO A 46 2.206 5.683 -5.997 1.00 0.00 C ATOM 657 C PRO A 46 1.674 5.523 -4.572 1.00 0.00 C ATOM 658 O PRO A 46 2.019 4.565 -3.881 1.00 0.00 O ATOM 659 CB PRO A 46 2.502 4.355 -6.675 1.00 0.00 C ATOM 660 CG PRO A 46 4.011 4.184 -6.616 1.00 0.00 C ATOM 661 CD PRO A 46 4.618 5.526 -6.241 1.00 0.00 C ATOM 0 HA PRO A 46 1.417 6.218 -6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.996 3.535 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.149 4.356 -7.706 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.281 3.425 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.395 3.847 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.244 5.443 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.250 5.912 -7.041 1.00 0.00 H new ATOM 669 N TRP A 47 0.842 6.474 -4.174 1.00 0.00 N ATOM 670 CA TRP A 47 0.259 6.450 -2.844 1.00 0.00 C ATOM 671 C TRP A 47 0.046 4.988 -2.447 1.00 0.00 C ATOM 672 O TRP A 47 0.509 4.553 -1.395 1.00 0.00 O ATOM 673 CB TRP A 47 -1.027 7.277 -2.794 1.00 0.00 C ATOM 674 CG TRP A 47 -0.807 8.751 -2.448 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.276 9.502 -2.689 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.741 9.627 -1.782 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.109 10.793 -2.230 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.157 10.871 -1.661 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.038 9.376 -1.299 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.795 11.962 -1.059 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.662 10.477 -0.700 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.087 11.736 -0.570 1.00 0.00 C ATOM 0 H TRP A 47 0.558 7.266 -4.750 1.00 0.00 H new ATOM 0 HA TRP A 47 0.930 6.912 -2.120 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.526 7.212 -3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.700 6.838 -2.058 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.168 9.142 -3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.789 11.550 -2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.515 8.411 -1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.316 12.926 -0.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.660 10.338 -0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.635 12.536 -0.094 1.00 0.00 H new ATOM 693 N CYS A 48 -0.657 4.271 -3.312 1.00 0.00 N ATOM 694 CA CYS A 48 -0.937 2.866 -3.065 1.00 0.00 C ATOM 695 C CYS A 48 0.138 2.032 -3.764 1.00 0.00 C ATOM 696 O CYS A 48 0.204 2.000 -4.992 1.00 0.00 O ATOM 697 CB CYS A 48 -2.346 2.482 -3.523 1.00 0.00 C ATOM 698 SG CYS A 48 -3.065 1.036 -2.662 1.00 0.00 S ATOM 0 H CYS A 48 -1.041 4.636 -4.184 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.908 2.669 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.006 3.338 -3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.321 2.275 -4.593 1.00 0.00 H new ATOM 703 N PHE A 49 0.954 1.376 -2.951 1.00 0.00 N ATOM 704 CA PHE A 49 2.023 0.544 -3.476 1.00 0.00 C ATOM 705 C PHE A 49 2.051 -0.817 -2.777 1.00 0.00 C ATOM 706 O PHE A 49 1.433 -0.993 -1.728 1.00 0.00 O ATOM 707 CB PHE A 49 3.337 1.275 -3.197 1.00 0.00 C ATOM 708 CG PHE A 49 3.449 1.835 -1.778 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.566 0.988 -0.720 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.431 3.179 -1.574 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.669 1.507 0.598 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.535 3.699 -0.256 1.00 0.00 C ATOM 713 CZ PHE A 49 3.651 2.852 0.802 1.00 0.00 C ATOM 0 H PHE A 49 0.896 1.404 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 49 1.872 0.372 -4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.166 0.590 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.444 2.093 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.581 -0.080 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.338 3.851 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.762 0.834 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.522 4.767 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.729 3.247 1.804 1.00 0.00 H new ATOM 723 N LYS A 50 2.775 -1.745 -3.387 1.00 0.00 N ATOM 724 CA LYS A 50 2.892 -3.084 -2.836 1.00 0.00 C ATOM 725 C LYS A 50 3.596 -3.013 -1.479 1.00 0.00 C ATOM 726 O LYS A 50 4.237 -2.013 -1.159 1.00 0.00 O ATOM 727 CB LYS A 50 3.578 -4.017 -3.836 1.00 0.00 C ATOM 728 CG LYS A 50 2.632 -4.386 -4.980 1.00 0.00 C ATOM 729 CD LYS A 50 2.773 -5.863 -5.353 1.00 0.00 C ATOM 730 CE LYS A 50 2.980 -6.030 -6.860 1.00 0.00 C ATOM 731 NZ LYS A 50 1.998 -6.989 -7.415 1.00 0.00 N ATOM 0 H LYS A 50 3.286 -1.595 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 50 1.905 -3.511 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.469 -3.534 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.909 -4.922 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.603 -4.178 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.848 -3.765 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.616 -6.299 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.881 -6.407 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.876 -5.065 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.993 -6.382 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.152 -7.091 -8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.116 -7.913 -6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.034 -6.637 -7.244 1.00 0.00 H new ATOM 745 N PRO A 51 3.448 -4.116 -0.697 1.00 0.00 N ATOM 746 CA PRO A 51 4.061 -4.188 0.619 1.00 0.00 C ATOM 747 C PRO A 51 5.569 -4.426 0.508 1.00 0.00 C ATOM 748 O PRO A 51 6.003 -5.429 -0.056 1.00 0.00 O ATOM 749 CB PRO A 51 3.333 -5.316 1.331 1.00 0.00 C ATOM 750 CG PRO A 51 2.664 -6.135 0.240 1.00 0.00 C ATOM 751 CD PRO A 51 2.696 -5.318 -1.042 1.00 0.00 C ATOM 0 HA PRO A 51 3.968 -3.257 1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.028 -5.927 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.596 -4.924 2.032 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.184 -7.083 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.637 -6.372 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.178 -5.868 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.689 -5.072 -1.380 1.00 0.00 H new ATOM 759 N LEU A 52 6.325 -3.486 1.056 1.00 0.00 N ATOM 760 CA LEU A 52 7.775 -3.581 1.027 1.00 0.00 C ATOM 761 C LEU A 52 8.190 -5.042 1.213 1.00 0.00 C ATOM 762 O LEU A 52 7.614 -5.755 2.033 1.00 0.00 O ATOM 763 CB LEU A 52 8.395 -2.630 2.052 1.00 0.00 C ATOM 764 CG LEU A 52 9.819 -2.965 2.502 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.469 -1.768 3.199 1.00 0.00 C ATOM 766 CD2 LEU A 52 9.836 -4.218 3.380 1.00 0.00 C ATOM 0 H LEU A 52 5.961 -2.655 1.523 1.00 0.00 H new ATOM 0 HA LEU A 52 8.158 -3.261 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.395 -1.624 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.753 -2.607 2.932 1.00 0.00 H new ATOM 0 HG LEU A 52 10.415 -3.185 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.480 -2.032 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.510 -0.924 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.881 -1.494 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.860 -4.434 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.220 -4.051 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.440 -5.063 2.816 1.00 0.00 H new ATOM 778 N GLN A 53 9.187 -5.444 0.437 1.00 0.00 N ATOM 779 CA GLN A 53 9.685 -6.807 0.506 1.00 0.00 C ATOM 780 C GLN A 53 10.250 -7.096 1.899 1.00 0.00 C ATOM 781 O GLN A 53 11.463 -7.064 2.100 1.00 0.00 O ATOM 782 CB GLN A 53 10.737 -7.061 -0.576 1.00 0.00 C ATOM 783 CG GLN A 53 11.840 -6.001 -0.528 1.00 0.00 C ATOM 784 CD GLN A 53 11.617 -4.929 -1.596 1.00 0.00 C ATOM 785 OE1 GLN A 53 11.610 -5.195 -2.787 1.00 0.00 O ATOM 786 NE2 GLN A 53 11.435 -3.706 -1.106 1.00 0.00 N ATOM 0 H GLN A 53 9.663 -4.850 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 53 8.853 -7.487 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.173 -8.051 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.263 -7.054 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.861 -5.538 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.810 -6.474 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.453 -3.553 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.278 -2.921 -1.738 1.00 0.00 H new ATOM 795 N GLU A 54 9.343 -7.372 2.824 1.00 0.00 N ATOM 796 CA GLU A 54 9.735 -7.666 4.192 1.00 0.00 C ATOM 797 C GLU A 54 10.782 -8.782 4.215 1.00 0.00 C ATOM 798 O GLU A 54 10.466 -9.940 3.948 1.00 0.00 O ATOM 799 CB GLU A 54 8.519 -8.038 5.043 1.00 0.00 C ATOM 800 CG GLU A 54 8.049 -9.461 4.737 1.00 0.00 C ATOM 801 CD GLU A 54 6.550 -9.614 5.003 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.184 -9.622 6.198 1.00 0.00 O ATOM 803 OE2 GLU A 54 5.805 -9.718 4.006 1.00 0.00 O ATOM 0 H GLU A 54 8.338 -7.398 2.653 1.00 0.00 H new ATOM 0 HA GLU A 54 10.178 -6.769 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.771 -7.954 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.708 -7.335 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.263 -9.702 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.605 -10.171 5.350 1.00 0.00 H new ATOM 810 N ALA A 55 12.007 -8.394 4.538 1.00 0.00 N ATOM 811 CA ALA A 55 13.102 -9.347 4.600 1.00 0.00 C ATOM 812 C ALA A 55 14.069 -8.934 5.711 1.00 0.00 C ATOM 813 O ALA A 55 14.300 -9.692 6.652 1.00 0.00 O ATOM 814 CB ALA A 55 13.785 -9.430 3.233 1.00 0.00 C ATOM 0 H ALA A 55 12.265 -7.432 4.760 1.00 0.00 H new ATOM 0 HA ALA A 55 12.731 -10.343 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.606 -10.145 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.063 -9.756 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.173 -8.449 2.960 1.00 0.00 H new ATOM 820 N GLU A 56 14.609 -7.733 5.565 1.00 0.00 N ATOM 821 CA GLU A 56 15.547 -7.210 6.545 1.00 0.00 C ATOM 822 C GLU A 56 14.805 -6.392 7.605 1.00 0.00 C ATOM 823 O GLU A 56 13.653 -6.011 7.406 1.00 0.00 O ATOM 824 CB GLU A 56 16.635 -6.373 5.870 1.00 0.00 C ATOM 825 CG GLU A 56 18.028 -6.833 6.305 1.00 0.00 C ATOM 826 CD GLU A 56 19.089 -5.793 5.936 1.00 0.00 C ATOM 827 OE1 GLU A 56 19.230 -4.826 6.715 1.00 0.00 O ATOM 828 OE2 GLU A 56 19.734 -5.990 4.884 1.00 0.00 O ATOM 0 H GLU A 56 14.415 -7.107 4.783 1.00 0.00 H new ATOM 0 HA GLU A 56 16.035 -8.051 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.543 -6.455 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.500 -5.321 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.039 -7.003 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.266 -7.785 5.830 1.00 0.00 H new ATOM 835 N CYS A 57 15.498 -6.147 8.708 1.00 0.00 N ATOM 836 CA CYS A 57 14.919 -5.382 9.800 1.00 0.00 C ATOM 837 C CYS A 57 13.723 -6.160 10.351 1.00 0.00 C ATOM 838 O CYS A 57 12.696 -6.281 9.685 1.00 0.00 O ATOM 839 CB CYS A 57 14.527 -3.971 9.356 1.00 0.00 C ATOM 840 SG CYS A 57 15.879 -2.740 9.428 1.00 0.00 S ATOM 0 H CYS A 57 16.454 -6.464 8.869 1.00 0.00 H new ATOM 0 HA CYS A 57 15.660 -5.251 10.589 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.152 -4.018 8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.705 -3.624 9.982 1.00 0.00 H new ATOM 0 HG CYS A 57 15.436 -1.585 9.029 1.00 0.00 H new ATOM 845 N THR A 58 13.896 -6.668 11.563 1.00 0.00 N ATOM 846 CA THR A 58 12.843 -7.431 12.211 1.00 0.00 C ATOM 847 C THR A 58 12.548 -8.709 11.423 1.00 0.00 C ATOM 848 O THR A 58 12.077 -8.648 10.289 1.00 0.00 O ATOM 849 CB THR A 58 11.625 -6.519 12.368 1.00 0.00 C ATOM 850 OG1 THR A 58 12.061 -5.511 13.277 1.00 0.00 O ATOM 851 CG2 THR A 58 10.469 -7.205 13.099 1.00 0.00 C ATOM 0 H THR A 58 14.749 -6.566 12.113 1.00 0.00 H new ATOM 0 HA THR A 58 13.149 -7.762 13.204 1.00 0.00 H new ATOM 0 HB THR A 58 11.288 -6.191 11.384 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.332 -4.875 13.434 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.630 -6.514 13.183 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.157 -8.087 12.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.795 -7.504 14.095 1.00 0.00 H new ATOM 859 N PHE A 59 12.837 -9.836 12.056 1.00 0.00 N ATOM 860 CA PHE A 59 12.608 -11.127 11.428 1.00 0.00 C ATOM 861 C PHE A 59 13.313 -11.210 10.073 1.00 0.00 C ATOM 862 O PHE A 59 13.127 -12.173 9.330 1.00 0.00 O ATOM 863 CB PHE A 59 11.099 -11.258 11.214 1.00 0.00 C ATOM 864 CG PHE A 59 10.684 -12.537 10.482 1.00 0.00 C ATOM 865 CD1 PHE A 59 10.807 -13.743 11.098 1.00 0.00 C ATOM 866 CD2 PHE A 59 10.191 -12.466 9.217 1.00 0.00 C ATOM 867 CE1 PHE A 59 10.422 -14.929 10.419 1.00 0.00 C ATOM 868 CE2 PHE A 59 9.805 -13.652 8.538 1.00 0.00 C ATOM 869 CZ PHE A 59 9.929 -14.859 9.153 1.00 0.00 C ATOM 0 H PHE A 59 13.228 -9.883 12.997 1.00 0.00 H new ATOM 0 HA PHE A 59 13.000 -11.924 12.060 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.601 -11.228 12.183 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.746 -10.396 10.647 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.197 -13.799 12.103 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.093 -11.508 8.729 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.521 -15.887 10.908 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.413 -13.596 7.533 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.636 -15.761 8.637 1.00 0.00 H new TER 879 PHE A 59